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Methyl 4-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzoate
SpectraBase Compound ID 4AiFVMt8BFr
InChI InChI=1S/C12H13NO2S2/c1-15-11(14)10-4-2-9(3-5-10)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3
InChIKey LGQKIMQROHFJGL-UHFFFAOYSA-N
Mol Weight 267.36 g/mol
Molecular Formula C12H13NO2S2
Exact Mass 267.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AtESCzNYMQ
Name Methyl 4-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzoate
CAS Registry Number 309921-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S2
InChI InChI=1S/C12H13NO2S2/c1-15-11(14)10-4-2-9(3-5-10)8-17-12-13-6-7-16-12/h2-5H,6-8H2,1H3
InChIKey LGQKIMQROHFJGL-UHFFFAOYSA-N
Molecular Weight 267.361 g/mol
SMILES C1(=NCCS1)SCc1ccc(C(=O)OC)cc1
SPLASH splash10-0002-9830000000-cbfad1e538620c6d4368
Source of Spectrum AD-0-2532-0
Synonyms 4-[(2-thiazolin-2-ylthio)methyl]benzoic acid methyl ester 4-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid methyl ester Benzoic acid, 4-(2-thiazolin-2-ylthiomethyl)-, methyl ester Methyl 4-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate
Wiley ID 1433425