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(+-)-cis-8-Benzyloxycarbonylaminomethyl-1-phenyl-2-thia-6-azabicyclo[4.2.0]octan-7-one
SpectraBase Compound ID GTAILn9Tl0Y
InChI InChI=1S/C21H22N2O3S/c24-19-18(14-22-20(25)26-15-16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)23(19)12-7-13-27-21/h1-6,8-11,18H,7,12-15H2,(H,22,25)/t18-,21+/m0/s1
InChIKey JPERTDORSPQYQX-GHTZIAJQSA-N
Mol Weight 382.48 g/mol
Molecular Formula C21H22N2O3S
Exact Mass 382.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3B3FtiQHH9
Name (+-)-cis-8-Benzyloxycarbonylaminomethyl-1-phenyl-2-thia-6-azabicyclo[4.2.0]octan-7-one
Alternate Name(s) (+-)-cis-8-Benzyloxycarbonyliminomethyl-1-phenyl-2-thia-6-azabicyclo[4.2.0]octan-7-one benzyl[(6S,7S)-8-oxo-6-phenyl-5-thia-1-azabicyclo[4.2.0]oct-7-yl]methylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3S
InChI InChI=1S/C21H22N2O3S/c24-19-18(14-22-20(25)26-15-16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)23(19)12-7-13-27-21/h1-6,8-11,18H,7,12-15H2,(H,22,25)/t18-,21+/m0/s1
InChIKey JPERTDORSPQYQX-GHTZIAJQSA-N
Molecular Weight 382.478 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@]1(C(N2[C@@]1(SCCC2)c1ccccc1)=O)[H]
SPLASH splash10-014i-0090000000-b431dde49cd2f698fa1d
Source of Spectrum F-70-337-6
Wiley ID 1596068