Adipic acid(124-04-9) 1H NMR
Product NameAdipic acid
CAS124-04-9
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey WNLRTRBMVRJNCN-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCC(O)=O
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MassMS-NW-0242 adipic acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 0 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 2.3 18.0 5.1 26.0 5.2 27.0 25.8 28.0 14.0 29.0 20.7 30.0 1.3 31.0 6.6 38.0 1.9 39.0 17.4 40.0 2.2 41.0 48.2 42.0 27.0 43.0 52.1 44.0 2.0 45.0 27.3 46.0 1.0 50.0 1.6 51.0 1.5 53.0 5.4 54.0 14.7 55.0 32.6 56.0 8.6 57.0 7.6 58.0 11.9 59.0 6.2 60.0 49.6 61.0 1.6 68.0 8.2 69.0 43.1 70.0 1.9 72.0 1.1 73.0 29.5 74.0 3.6 81.0 1.0 82.0 7.0 83.0 6.6 84.0 1.0 85.0 1.8 86.0 2.8 87.0 40.5 88.0 2.0 99.0 2.3 100.0 100.0 101.0 8.0 102.0 2.1 110.0 3.2 111.0 1.7 112.0 1.4 128.0 17.9 129.0 3.8
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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1H NMR 89.56 MHz C6 H10 O4 0.043 g : 0.5 ml DMSO-d6 adipic acid 
Assign. Shift(ppm)
A 12.0 B 2.21 C 1.51
Hz ppm Int.1071.36 11.963 134 204.74 2.287 299 198.33 2.215 950 192.26 2.147 411 141.76 1.583 375 138.17 1.543 472 135.01 1.508 1000 131.68 1.471 439 128.09 1.431 251
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1H NMR 399.65 MHz C6 H10 O4 0.039 g : 0.5 ml DMSO-d6 adipic acid Assign. Shift(ppm)
A 12.0 B 2.210 C 1.501
Hz ppm Int.4803.36 12.019 895 890.56 2.229 336 889.46 2.226 326 887.99 2.222 312 886.16 2.218 416 883.41 2.211 822 881.03 2.205 420 879.02 2.200 294 877.55 2.196 314 876.45 2.194 342 607.20 1.520 358 603.17 1.510 462 600.24 1.502 1000 596.94 1.494 421 594.19 1.487 242 593.09 1.485 295
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
TI(III) COMPLEX IN TOLUENE/BENZENE, X-BAND
TI(III) COMPLEX IN TOLUENE/BENZENE, HALF FIELD
TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K
TI(III) COMPLEX IN TOLUENE/BENZENE, S-BAND
