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3-Benzylthio-7-hydroxyethyl-7-methoxy-1-dethia-2-thia-3-cephemcarboxylic acid
SpectraBase Compound ID KDogT56GWbe
InChI InChI=1S/C17H19NO5S2/c1-23-17(7-8-19)12-10-25-15(13(14(20)21)18(12)16(17)22)24-9-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3,(H,20,21)
InChIKey CLBAGJYCHKHKDY-UHFFFAOYSA-N
Mol Weight 381.46 g/mol
Molecular Formula C17H19NO5S2
Exact Mass 381.070465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A86uCNtglZQ
Name 3-Benzylthio-7-hydroxyethyl-7-methoxy-1-dethia-2-thia-3-cephemcarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5S2
InChI InChI=1S/C17H19NO5S2/c1-23-17(7-8-19)12-10-25-15(13(14(20)21)18(12)16(17)22)24-9-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3,(H,20,21)
InChIKey CLBAGJYCHKHKDY-UHFFFAOYSA-N
Molecular Weight 381.461 g/mol
SMILES OC(C=1N2C(C(CCO)(C2=O)OC)CSC1SCc1ccccc1)=O
SPLASH splash10-0a4r-0009000000-f42041a0d5d68a319f98
Source of Spectrum H1-34-81-7
Synonyms 3-(benzylsulfanyl)-7-(2-hydroxyethyl)-7-methoxy-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Wiley ID 754523