N-Boc-N'-nitro-L-arginine(2188-18-3) 13C NMR
Product NameN-Boc-N'-nitro-L-arginine
CAS2188-18-3
Molecular FormulaC11H21N5O6
Molecular Weight319.31
InChIInChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
InChIKey OZSSOVRIEPAIMP-ZETCQYMHSA-N
SmilesC(O)(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(OC(C)(C)C)=O
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MassMS-NW-9133 N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine C11H21N5O6 (Mass of molecular ion: 319)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
16.0 4.0 17.0 4.1 18.0 20.8 26.0 1.8 27.0 15.1 28.0 26.1 29.0 9.5 37.0 2.3 38.0 3.6 39.0 37.7 40.0 10.0 41.0 78.1 42.0 3.4 43.0 1.2 44.0 100.0 45.0 1.5 49.0 1.0 50.0 4.1 51.0 4.1 53.0 5.3 54.0 2.2 55.0 30.4 56.0 52.2 57.0 4.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H21 N5 O6 0.041 g : 0.5 ml DMSO-d6 N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine 
Assign. Shift(ppm)
A 7.07 B 3.87 C 3.13 D *1 1.68 E *1 1.55 F 1.384
Hz ppm Int.2830.51 7.083 45 2822.57 7.063 45 673.07 1.685 27 617.52 1.546 64 553.13 1.385 1000 540.92 1.354 78
in DMSO-d6
KBr disk
nujol mull
