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1,3-Dithiane-2-carboxylic acid, 2-(hydroxyphenylmethyl)-, ethyl ester
SpectraBase Compound ID KTVcvbQHDu5
InChI InChI=1S/C14H18O3S2/c1-2-17-13(16)14(18-9-6-10-19-14)12(15)11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3
InChIKey UMJYKQSYTIOOLG-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C14H18O3S2
Exact Mass 298.069737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCXwhQSaeb1
Name 1,3-Dithiane-2-carboxylic acid, 2-(hydroxyphenylmethyl)-, ethyl ester
CAS Registry Number 79348-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S2
InChI InChI=1S/C14H18O3S2/c1-2-17-13(16)14(18-9-6-10-19-14)12(15)11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3
InChIKey UMJYKQSYTIOOLG-UHFFFAOYSA-N
Molecular Weight 298.415 g/mol
SMILES OC(C1(C(=O)OCC)SCCCS1)c1ccccc1
SPLASH splash10-014i-0900000000-4583a741274e06d2643f
Source of Spectrum K-114-2926-0
Synonyms Ethyl 2-[hydroxy(phenyl)methyl]-1,3-dithiane-2-carboxylate Ethylester of 2-(.alpha.-hydroxybenzyl)-1,3-dithian-2-carboxylic acid
Wiley ID 1300647