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Acetic acid, [(3-methylphenyl)sulfonyl]-, ethyl ester
SpectraBase Compound ID 9sNpsFHM4FA
InChI InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKey DKBHHMLGBAWFQI-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C11H14O4S
Exact Mass 242.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AXMXiL12ug
Name Acetic acid, [(3-methylphenyl)sulfonyl]-, ethyl ester
CAS Registry Number 50397-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O4S
InChI InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChIKey DKBHHMLGBAWFQI-UHFFFAOYSA-N
Molecular Weight 242.289 g/mol
SMILES CCOC(CS(c1cccc(C)c1)(=O)=O)=O
SPLASH splash10-052f-9600000000-f868a588f8a9aee1866f
Source of Spectrum B-26-2565-2
Synonyms Ethyl [(3-methylphenyl)sulfonyl]acetate 2-(3-Methylphenyl)sulfonylacetic acid ethyl ester 2-(m-tolylsulfonyl)acetic acid ethyl ester Ethyl 2-(3-methylphenyl)sulfonylacetate Ethyl 2-(3-methylphenyl)sulfonylethanoate Ethyl 2-(m-tolylsulfonyl)acetate
Wiley ID 1244649