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3,5-bis(1'-hydroxypropyl)-5-(ethylthio)furan-2(5H)-one
SpectraBase Compound ID BQrwOE3UPjd
InChI InChI=1S/C12H20O4S/c1-4-9(13)8-7-12(17-6-3,10(14)5-2)16-11(8)15/h7,9-10,13-14H,4-6H2,1-3H3
InChIKey GRFRFHHDZBDAEW-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C12H20O4S
Exact Mass 260.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxXGSPw9tzi
Name 3,5-bis(1'-hydroxypropyl)-5-(ethylthio)furan-2(5H)-one
CAS Registry Number 114583-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4S
InChI InChI=1S/C12H20O4S/c1-4-9(13)8-7-12(17-6-3,10(14)5-2)16-11(8)15/h7,9-10,13-14H,4-6H2,1-3H3
InChIKey GRFRFHHDZBDAEW-UHFFFAOYSA-N
Molecular Weight 260.348 g/mol
SMILES OC(C1(OC(C(C(O)CC)=C1)=O)SCC)CC
SPLASH splash10-0a5a-7900000000-e9bd86fadd369224a828
Source of Spectrum J-53-3333-10
Synonyms 5-(ethylsulfanyl)-3,5-bis(1-hydroxypropyl)-2(5H)-furanone
Wiley ID 1263360