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Benzoic acid, 3-methoxy-2-[2-(methylthio)-4-oxo-1-azetidinyl]-, (.+-.)-
SpectraBase Compound ID 5umJ6XX8T0N
InChI InChI=1S/C12H13NO4S/c1-17-8-5-3-4-7(12(15)16)11(8)13-9(14)6-10(13)18-2/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKey NVCNWPJMMSRQOQ-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42vpz1jS1Qn
Name Benzoic acid, 3-methoxy-2-[2-(methylthio)-4-oxo-1-azetidinyl]-, (.+-.)-
CAS Registry Number 90136-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-17-8-5-3-4-7(12(15)16)11(8)13-9(14)6-10(13)18-2/h3-5,10H,6H2,1-2H3,(H,15,16)
InChIKey NVCNWPJMMSRQOQ-UHFFFAOYSA-N
Molecular Weight 267.299 g/mol
SMILES OC(c1c(N2C(=O)CC2SC)c(OC)ccc1)=O
SPLASH splash10-00dl-9200000000-bddb97669ec104a200bc
Source of Spectrum AH-115-221-0
Synonyms 1-(2-Carboxy-6-methoxyphenyl)-4-methylthio-2-azetidinone 3-Methoxy-2-[2-(methylsulfanyl)-4-oxo-1-azetidinyl]benzoic acid 3-Methoxy-2-[2-(methylthio)-4-oxo-1-azetidinyl]benzoic acid 3-Methoxy-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)benzoic acid 3-Methoxy-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)benzoic acid 3-Methoxy-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)benzoic acid
Wiley ID 1270995