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Methyl 2-(benzylsulfanyl)-1-tert-butyl-3-chloro-4-oxo-3-azetidinecarboxylate
SpectraBase Compound ID KugAgWGpKeO
InChI InChI=1S/C16H20ClNO3S/c1-15(2,3)18-12(19)16(17,14(20)21-4)13(18)22-10-11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3
InChIKey MGYZVZKMPXHPOO-UHFFFAOYSA-N
Mol Weight 341.85 g/mol
Molecular Formula C16H20ClNO3S
Exact Mass 341.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QyOTNHvea
Name Methyl 2-(benzylsulfanyl)-1-tert-butyl-3-chloro-4-oxo-3-azetidinecarboxylate
Alternate Name(s) 1-(tert-Butyl)-3-chloro-3-methoxycarbonyl-4-benzylthio-azetidin-2-one 1-tert-Butyl-3-chloro-2-oxo-4-(phenylmethylthio)-3-azetidinecarboxylic acid methyl ester 2-(benzylthio)-1-tert-butyl-3-chloro-4-keto-azetidine-3-carboxylic acid methyl ester Methyl 1-tert-butyl-3-chloranyl-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidine-3-carboxylate Methyl 2-benzylsulfanyl-1-tert-butyl-3-chloro-4-oxo-azetidine-3-carboxylate
CAS Registry Number 121191-07-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClNO3S
InChI InChI=1S/C16H20ClNO3S/c1-15(2,3)18-12(19)16(17,14(20)21-4)13(18)22-10-11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3
InChIKey MGYZVZKMPXHPOO-UHFFFAOYSA-N
Molecular Weight 341.853 g/mol
SMILES CC(C)(C)N1C(C(C1=O)(C(=O)OC)Cl)SCc1ccccc1
SPLASH splash10-052f-9100000000-ccff3743261825557630
Source of Spectrum O-24-3-2
Wiley ID 1335794