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(1R*,6R*)-1-Chloro-6-methyl-7-(2-methoxyphenyl)-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-(2-methoxyphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
SpectraBase Compound ID K39sTJrFONL
InChI InChI=1S/C13H14ClNO3S/c1-12-13(14,19-8-7-18-12)11(16)15(12)9-5-3-4-6-10(9)17-2/h3-6H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey CDVTYKOAIZHTEJ-CHWSQXEVSA-N
Mol Weight 299.77 g/mol
Molecular Formula C13H14ClNO3S
Exact Mass 299.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r6TKA7349I
Name (1R*,6R*)-1-Chloro-6-methyl-7-(2-methoxyphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO3S
InChI InChI=1S/C13H14ClNO3S/c1-12-13(14,19-8-7-18-12)11(16)15(12)9-5-3-4-6-10(9)17-2/h3-6H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey CDVTYKOAIZHTEJ-CHWSQXEVSA-N
Molecular Weight 299.772 g/mol
SMILES [C@@]12([C@](OCCS2)(C)N(C1=O)c1c(OC)cccc1)Cl
SPLASH splash10-0udi-0920000000-62648fb3ef15ba7e765c
Source of Spectrum H1-50-717-5
Synonyms (1R,6R)-1-chloro-7-(2-methoxyphenyl)-6-methyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
Wiley ID 816909