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Acetic acid, [[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]thio]-, ethyl este
SpectraBase Compound ID FgMAW5QBrnE
InChI InChI=1S/C11H17NO2S.Br/c1-3-14-11(13)8-15-9(2)7-10-5-4-6-12-10;/h7H,3-6,8H2,1-2H3;/b9-7+;
InChIKey ABBDMFUWOYTGDD-BXTVWIJMSA-N
Mol Weight 307.23 g/mol
Molecular Formula C11H17BrNO2S
Exact Mass 306.016338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkKlgmXs0AC
Name Acetic acid, [[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]thio]-, ethyl este
CAS Registry Number 54031-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18BrNO2S
InChI InChI=1S/C11H17NO2S.Br/c1-3-14-11(13)8-15-9(2)7-10-5-4-6-12-10;/h7H,3-6,8H2,1-2H3;/b9-7+;
InChIKey ABBDMFUWOYTGDD-BXTVWIJMSA-N
Molecular Weight 308.234 g/mol
SMILES Br.C(=O)(CS\C(=C\C=1CCCN1)C)OCC
SPLASH splash10-0006-4900000000-a2a3878c70054a6b9e3e
Synonyms Acetic acid, [[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]thio]-, ethyl ester, hydrobromide Acetic acid, [[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]thio]-, ethylester Ethyl {[(E)-2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]sulfanyl}acetate hydrobromide Ethyl {[2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylethenyl]sulfanyl}acetate hydrobromide
Wiley ID 1489603