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2-Azetidinone, 3-chloro-1-[2-[[(4-methoxyphenyl)methyl]thio]phenyl]-4-(methylthio)-, (3R-trans)-
SpectraBase Compound ID Ke7tqZJbog1
InChI InChI=1S/C18H18ClNO2S2/c1-22-13-9-7-12(8-10-13)11-24-15-6-4-3-5-14(15)20-17(21)16(19)18(20)23-2/h3-10,16,18H,11H2,1-2H3/t16-,18+/m0/s1
InChIKey AIIQLDROPFWDPR-FUHWJXTLSA-N
Mol Weight 379.92 g/mol
Molecular Formula C18H18ClNO2S2
Exact Mass 379.046749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dt8j38NNQwE
Name 2-Azetidinone, 3-chloro-1-[2-[[(4-methoxyphenyl)methyl]thio]phenyl]-4-(methylthio)-, (3R-trans)-
Alternate Name(s) (3R,4s/3s,4R)-3-chloro-1-(4-methoxybenzylthio)-phenyl-4-methylthio-2-azetidinone (3S,4R)-3-chloro-1-{2-[(4-methoxybenzyl)sulfanyl]phenyl}-4-(methylsulfanyl)-2-azetidinone
CAS Registry Number 82725-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClNO2S2
InChI InChI=1S/C18H18ClNO2S2/c1-22-13-9-7-12(8-10-13)11-24-15-6-4-3-5-14(15)20-17(21)16(19)18(20)23-2/h3-10,16,18H,11H2,1-2H3/t16-,18+/m0/s1
InChIKey AIIQLDROPFWDPR-FUHWJXTLSA-N
Molecular Weight 379.920 g/mol
SMILES C1(N([C@@]([C@]1(Cl)[H])(SC)[H])c1c(SCc2ccc(cc2)OC)cccc1)=O
SPLASH splash10-00di-0900000000-bd4ed0d8fd28f5f127f6
Source of Spectrum AH-113-600-0
Wiley ID 1359207