CARBAMIC ACID ISOPROPYL ESTER(1746-77-6) MS
Product NameCARBAMIC ACID ISOPROPYL ESTER
CAS1746-77-6
Molecular FormulaC4H9NO2
Molecular Weight103.12
InChIInChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey OVPLZYJGTGDFNB-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)N
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MassMS-NW-1524 isopropyl carbamate C4H9NO2 (Mass of molecular ion: 103)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.7 16.0 2.4 17.0 1.1 18.0 4.5 19.0 2.1 26.0 1.2 27.0 15.9 28.0 1.5 29.0 3.7 31.0 5.3 38.0 1.2 39.0 8.1 40.0 2.0 41.0 22.9 42.0 10.0 43.0 20.3 44.0 17.2 45.0 100.0 46.0 2.4 59.0 32.1 60.0 1.1 62.0 44.3 88.0 11.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H9 N O2 0.049 g : 0.5 ml CDCl3 isopropyl carbamate 
Assign. Shift(ppm)
A 5. B 4.90 C 1.237 J(B,C)=6.2HZ
Hz ppm Int.459.94 5.136 21 459.38 5.130 22 458.75 5.123 23 458.31 5.118 24 456.13 5.094 29 455.25 5.084 29 454.81 5.079 29 452.94 5.058 31 450.00 5.025 51 447.69 4.999 34 447.06 4.992 34 443.75 4.955 79 437.50 4.885 92 434.63 4.853 25 431.25 4.816 70 425.00 4.746 33 113.94 1.273 1000 107.69 1.203 959
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
