For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(4-HYDROXY-5-METHOXY-3-NITROBENZOYL)-L-CYSTINE-ETHYLESTER
SpectraBase Compound ID CX42nOH34ZQ
InChI InChI=1S/C26H30N4O14S2/c1-5-43-25(35)15(27-23(33)13-7-17(29(37)38)21(31)19(9-13)41-3)11-45-46-12-16(26(36)44-6-2)28-24(34)14-8-18(30(39)40)22(32)20(10-14)42-4/h7-10,15-16,31-32H,5-6,11-12H2,1-4H3,(H,27,33)(H,28,34)/t15-,16-/m0/s1
InChIKey OIQBKBVWNDYHKF-HOTGVXAUSA-N
Mol Weight 686.66 g/mol
Molecular Formula C26H30N4O14S2
Exact Mass 686.119994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E95XsoImtrP
Name N-(4-HYDROXY-5-METHOXY-3-NITROBENZOYL)-L-CYSTINE-ETHYLESTER
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30N4O14S2
InChI InChI=1S/C26H30N4O14S2/c1-5-43-25(35)15(27-23(33)13-7-17(29(37)38)21(31)19(9-13)41-3)11-45-46-12-16(26(36)44-6-2)28-24(34)14-8-18(30(39)40)22(32)20(10-14)42-4/h7-10,15-16,31-32H,5-6,11-12H2,1-4H3,(H,27,33)(H,28,34)/t15-,16-/m0/s1
InChIKey OIQBKBVWNDYHKF-HOTGVXAUSA-N
Literature Reference Author C.PETIT,V.BERNARDES-GENISSON,P.HOFFMANN,J.P.SOUCHARD,S.LABID ALLE
Literature Reference Citation CHEM.PHARM.BULL.,48,1634(2000)
Literature Reference DOI 10.1248/cpb.48.1634
Molecular Weight 686.663 g/mol
Solvent ACETONE-D6
Source File Reference UWVN4649