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(1R*,6R*)-1-Chloro-6-methyl-7-phenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one

View entire compound with spectra: 1 MS (GC)

(1R*,6R*)-1-Chloro-6-methyl-7-phenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
SpectraBase Compound ID KLDJcU7dF9s
InChI InChI=1S/C12H12ClNO2S/c1-11-12(13,17-8-7-16-11)10(15)14(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t11-,12-/m1/s1
InChIKey MIIZASCXTCDXCM-VXGBXAGGSA-N
Mol Weight 269.75 g/mol
Molecular Formula C12H12ClNO2S
Exact Mass 269.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSqSvTy39i3
Name (1R*,6R*)-1-Chloro-6-methyl-7-phenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO2S
InChI InChI=1S/C12H12ClNO2S/c1-11-12(13,17-8-7-16-11)10(15)14(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t11-,12-/m1/s1
InChIKey MIIZASCXTCDXCM-VXGBXAGGSA-N
Molecular Weight 269.746 g/mol
SMILES [C@@]12([C@](OCCS2)(C)N(C1=O)c1ccccc1)Cl
SPLASH splash10-0udi-0900000000-cbeb5c085ee8d54e5553
Source of Spectrum H1-50-717-5
Synonyms (1R,6R)-1-chloro-6-methyl-7-phenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
Wiley ID 816911