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5-Hydroxybenzyl-5-ethylthio-4-(pyrrolidin-1-yl)furan-2(5H)-one isomer
SpectraBase Compound ID 6Qwdde0aalL
InChI InChI=1S/C17H21NO3S/c1-2-22-17(12-13-5-7-14(19)8-6-13)15(11-16(20)21-17)18-9-3-4-10-18/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKey JWNGWCQMOZZISE-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JES7Yypaexv
Name 5-Hydroxybenzyl-5-ethylthio-4-(pyrrolidin-1-yl)furan-2(5H)-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-2-22-17(12-13-5-7-14(19)8-6-13)15(11-16(20)21-17)18-9-3-4-10-18/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKey JWNGWCQMOZZISE-UHFFFAOYSA-N
Molecular Weight 319.419 g/mol
SMILES Oc1ccc(CC2(C(=CC(O2)=O)N2CCCC2)SCC)cc1
SPLASH splash10-0il0-4970000000-c6837e2ed85172897e7f
Source of Spectrum F-47-3180-12
Synonyms 5-(ethylsulfanyl)-5-(4-hydroxybenzyl)-4-(1-pyrrolidinyl)-2(5H)-furanone
Wiley ID 1319316