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2-Azetidinone, 3-chloro-4-(methylthio)-1-[2-(phenylmethoxy)phenyl]-, (3R-trans)-
SpectraBase Compound ID CmB0Q69uowo
InChI InChI=1S/C17H16ClNO2S/c1-22-17-15(18)16(20)19(17)13-9-5-6-10-14(13)21-11-12-7-3-2-4-8-12/h2-10,15,17H,11H2,1H3/t15-,17+/m0/s1
InChIKey YYRFAUQIZQQAEB-DOTOQJQBSA-N
Mol Weight 333.83 g/mol
Molecular Formula C17H16ClNO2S
Exact Mass 333.059028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ctIyz3tfDT
Name 2-Azetidinone, 3-chloro-4-(methylthio)-1-[2-(phenylmethoxy)phenyl]-, (3R-trans)-
CAS Registry Number 82725-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNO2S
InChI InChI=1S/C17H16ClNO2S/c1-22-17-15(18)16(20)19(17)13-9-5-6-10-14(13)21-11-12-7-3-2-4-8-12/h2-10,15,17H,11H2,1H3/t15-,17+/m0/s1
InChIKey YYRFAUQIZQQAEB-DOTOQJQBSA-N
Molecular Weight 333.833 g/mol
SMILES C1(N([C@@]([C@]1(Cl)[H])(SC)[H])c1c(OCc2ccccc2)cccc1)=O
SPLASH splash10-052f-9000000000-7c70866b2b9d4daf8385
Source of Spectrum AH-113-599-0
Synonyms (3R,4s/3s,4R)-1-(2-benzyloxyphenyl)-3-chloro-4-methylthio-2-azetidinone (3S,4R)-1-[2-(benzyloxy)phenyl]-3-chloro-4-(methylsulfanyl)-2-azetidinone
Wiley ID 1330149