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2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-(3-BENZOYLPHENYL)-PROPANOYL]-CARBAMATE
SpectraBase Compound ID 1OknICjyF9m
InChI InChI=1S/C21H22N2O7S2/c1-15(17-8-5-9-18(14-17)19(24)16-6-3-2-4-7-16)20(25)22-21(26)29-10-12-31-32-13-11-30-23(27)28/h2-9,14-15H,10-13H2,1H3,(H,22,25,26)
InChIKey CSOZPMLJYNTCLQ-UHFFFAOYSA-N
Mol Weight 478.53 g/mol
Molecular Formula C21H22N2O7S2
Exact Mass 478.086843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qKE4FdNlzg
Name 2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-[2-(3-BENZOYLPHENYL)-PROPANOYL]-CARBAMATE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O7S2
InChI InChI=1S/C21H22N2O7S2/c1-15(17-8-5-9-18(14-17)19(24)16-6-3-2-4-7-16)20(25)22-21(26)29-10-12-31-32-13-11-30-23(27)28/h2-9,14-15H,10-13H2,1H3,(H,22,25,26)
InChIKey CSOZPMLJYNTCLQ-UHFFFAOYSA-N
Literature Reference Author N.BORHADE,A.R.PATHAN,S.HALDER,M.KARWA,M.DHIMAN,V.PAMIDIBOINA ,M.GUND
Literature Reference Citation CHEM.PHARM.BULL.,60,465(2012)
Literature Reference DOI 10.1248/cpb.60.465
Molecular Weight 478.535 g/mol
Source File Reference UWBT4749