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Methyl (5S,7S)-1-aza-7-benzyloxycarbonylamino-8-oxy-4-thiabicylo[3.3.0]oct-2-en-2-ylcarboxylate
SpectraBase Compound ID 2fnX81L0IWK
InChI InChI=1S/C16H16N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,17,21)/t11-,13-/m0/s1
InChIKey DWJDSPWSNKCQQF-AAEUAGOBSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVSDz4FxeC0
Name Methyl (5S,7S)-1-aza-7-benzyloxycarbonylamino-8-oxy-4-thiabicylo[3.3.0]oct-2-en-2-ylcarboxylate
Alternate Name(s) Methyl (6S,7aS)-6-{[(benzyloxy)carbonyl]amino}-5-oxo-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CAS Registry Number 109429-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,17,21)/t11-,13-/m0/s1
InChIKey DWJDSPWSNKCQQF-AAEUAGOBSA-N
Molecular Weight 348.373 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C(N2C(=CS[C@]2(C1)[H])C(=O)OC)=O)[H]
SPLASH splash10-0006-9020000000-80137ff3c02fb637fe91
Source of Spectrum F-45-4545-21
Wiley ID 1340378