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CIS-7-[(PHENOXYACETYL)-AMINO]-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-(4-NITROPHENYL)-METHYLESTER

View entire compound with spectra: 1 NMR

CIS-7-[(PHENOXYACETYL)-AMINO]-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-(4-NITROPHENYL)-METHYLESTER
SpectraBase Compound ID 8wjUsf5oald
InChI InChI=1S/C29H27N3O7S/c33-25(18-38-21-7-3-1-4-8-21)30-26-23-15-16-24(40-22-9-5-2-6-10-22)27(31(23)28(26)34)29(35)39-17-19-11-13-20(14-12-19)32(36)37/h1-14,23-24,26-27H,15-18H2,(H,30,33)/t23-,24?,26+,27?/m1/s1
InChIKey WNUVXSFGBSVMDP-ACGYOFOLSA-N
Mol Weight 561.61 g/mol
Molecular Formula C29H27N3O7S
Exact Mass 561.156971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9dkTsOtrbP
Name CIS-7-[(PHENOXYACETYL)-AMINO]-8-OXO-3-(PHENYLTHIO)-1-AZABICYCLO-[4.2.0]-OCTANE-2-CARBOXYLIC-ACID-(4-NITROPHENYL)-METHYLESTER
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27N3O7S
InChI InChI=1S/C29H27N3O7S/c33-25(18-38-21-7-3-1-4-8-21)30-26-23-15-16-24(40-22-9-5-2-6-10-22)27(31(23)28(26)34)29(35)39-17-19-11-13-20(14-12-19)32(36)37/h1-14,23-24,26-27H,15-18H2,(H,30,33)/t23-,24?,26+,27?/m1/s1
InChIKey WNUVXSFGBSVMDP-ACGYOFOLSA-N
Literature Reference Author R.S.MILLER,D.W.HOARD,R.A.JOHNSON,W.D.LUKE
Literature Reference Citation J.ORG.CHEM.,59,3289(1994)
Literature Reference DOI 10.1021/jo00091a014
Molecular Weight 561.609 g/mol
Solvent CDCl3
Source File Reference UWCP2590