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Benzoic acid, 2-[2-(methylthio)-4-oxo-1-azetidinyl]-, (.+-.)-
SpectraBase Compound ID E5xIuJAXg4y
InChI InChI=1S/C11H11NO3S/c1-16-10-6-9(13)12(10)8-5-3-2-4-7(8)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKey NBFOSEMSDQQKGG-UHFFFAOYSA-N
Mol Weight 237.27 g/mol
Molecular Formula C11H11NO3S
Exact Mass 237.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wxP9zahOq
Name Benzoic acid, 2-[2-(methylthio)-4-oxo-1-azetidinyl]-, (.+-.)-
CAS Registry Number 90136-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO3S
InChI InChI=1S/C11H11NO3S/c1-16-10-6-9(13)12(10)8-5-3-2-4-7(8)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKey NBFOSEMSDQQKGG-UHFFFAOYSA-N
Molecular Weight 237.273 g/mol
SMILES OC(c1c(N2C(=O)CC2SC)cccc1)=O
SPLASH splash10-01bc-9600000000-e3305e386764f0a69f74
Source of Spectrum AH-115-221-0
Synonyms 1-(2-Carboxyphenyl)-4-methylthio-2-azetidinone 2-[2-(methylsulfanyl)-4-oxo-1-azetidinyl]benzoic acid 2-[2-(methylthio)-4-oxo-1-azetidinyl]benzoic acid 2-(2-Methylsulfanyl-4-oxoazetidin-1-yl)benzoic acid 2-(2-Methylsulfanyl-4-oxo-azetidin-1-yl)benzoic acid 2-(2-Methylsulfanyl-4-oxidanylidene-azetidin-1-yl)benzoic acid
Wiley ID 1239342