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2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-]2-(4-ISOBUTYLPHENYL)-PROPANOYL]-CARBAMATE;MAJOR-COMPONENT
SpectraBase Compound ID JKtYS4d6PKU
InChI InChI=1S/C18H26N2O6S2/c1-13(2)12-15-4-6-16(7-5-15)14(3)17(21)19-18(22)25-8-10-27-28-11-9-26-20(23)24/h4-7,13-14H,8-12H2,1-3H3,(H,19,21,22)
InChIKey PDTQAYYYNUFILJ-UHFFFAOYSA-N
Mol Weight 430.53 g/mol
Molecular Formula C18H26N2O6S2
Exact Mass 430.123229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIxepOD2dS3
Name 2-[[2-(NITROOXY)-ETHYL]-DISULFANYL]-ETHYL-]2-(4-ISOBUTYLPHENYL)-PROPANOYL]-CARBAMATE;MAJOR-COMPONENT
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N2O6S2
InChI InChI=1S/C18H26N2O6S2/c1-13(2)12-15-4-6-16(7-5-15)14(3)17(21)19-18(22)25-8-10-27-28-11-9-26-20(23)24/h4-7,13-14H,8-12H2,1-3H3,(H,19,21,22)
InChIKey PDTQAYYYNUFILJ-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 430.534 g/mol
Source File Reference UWBT4750