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(1R*,6R*)-1-Chloro-6-methyl-7-(4-methylphenyl)-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-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
SpectraBase Compound ID D7vwfEUsFGr
InChI InChI=1S/C13H14ClNO2S/c1-9-3-5-10(6-4-9)15-11(16)13(14)12(15,2)17-7-8-18-13/h3-6H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey DDLLXGPJCZIEIC-CHWSQXEVSA-N
Mol Weight 283.77 g/mol
Molecular Formula C13H14ClNO2S
Exact Mass 283.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mEkXdau01b
Name (1R*,6R*)-1-Chloro-6-methyl-7-(4-methylphenyl)-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 C13H14ClNO2S
InChI InChI=1S/C13H14ClNO2S/c1-9-3-5-10(6-4-9)15-11(16)13(14)12(15,2)17-7-8-18-13/h3-6H,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey DDLLXGPJCZIEIC-CHWSQXEVSA-N
Molecular Weight 283.773 g/mol
SMILES [C@@]12([C@](OCCS2)(C)N(C1=O)c1ccc(cc1)C)Cl
SPLASH splash10-0udi-0900000000-5569a7ae3e6fbec404e3
Source of Spectrum H1-50-718-0
Synonyms (1R,6R)-1-chloro-6-methyl-7-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one
Wiley ID 816907