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2-Azetidinone, 3-chloro-1-[2-[(1,1-dimethylethyl)thio]phenyl]-4-(methylthio)-, (3R-trans)-
SpectraBase Compound ID 1IRmSF16dU1
InChI InChI=1S/C14H18ClNOS2/c1-14(2,3)19-10-8-6-5-7-9(10)16-12(17)11(15)13(16)18-4/h5-8,11,13H,1-4H3/t11-,13+/m0/s1
InChIKey UDIACVHRKIYZDN-WCQYABFASA-N
Mol Weight 315.88 g/mol
Molecular Formula C14H18ClNOS2
Exact Mass 315.051834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fRLl7clNOb
Name 2-Azetidinone, 3-chloro-1-[2-[(1,1-dimethylethyl)thio]phenyl]-4-(methylthio)-, (3R-trans)-
CAS Registry Number 82725-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18ClNOS2
InChI InChI=1S/C14H18ClNOS2/c1-14(2,3)19-10-8-6-5-7-9(10)16-12(17)11(15)13(16)18-4/h5-8,11,13H,1-4H3/t11-,13+/m0/s1
InChIKey UDIACVHRKIYZDN-WCQYABFASA-N
Molecular Weight 315.877 g/mol
SMILES C1(N([C@@]([C@]1(Cl)[H])(SC)[H])c1c(SC(C)(C)C)cccc1)=O
SPLASH splash10-0pb9-7900000000-54d8a2dd2f7590214dd9
Source of Spectrum AH-113-599-0
Synonyms (3R,4s/3s,4R)-1-(2-t-butylthiophenyl)-3-chloro-4-methylthio-2-azetidinone (3S,4R)-1-[2-(tert-butylsulfanyl)phenyl]-3-chloro-4-(methylsulfanyl)-2-azetidinone
Wiley ID 1315831