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5-(ethylthio)-3-(1'-hydroxypropyl)furan-2(5H)-one
SpectraBase Compound ID IJw1ttOmUkb
InChI InChI=1S/C9H14O3S/c1-3-7(10)6-5-8(13-4-2)12-9(6)11/h5,7-8,10H,3-4H2,1-2H3
InChIKey DTFMUFKFLQNNQV-UHFFFAOYSA-N
Mol Weight 202.27 g/mol
Molecular Formula C9H14O3S
Exact Mass 202.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XfyAQZ2szO
Name 5-(ethylthio)-3-(1'-hydroxypropyl)furan-2(5H)-one
CAS Registry Number 114583-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3S
InChI InChI=1S/C9H14O3S/c1-3-7(10)6-5-8(13-4-2)12-9(6)11/h5,7-8,10H,3-4H2,1-2H3
InChIKey DTFMUFKFLQNNQV-UHFFFAOYSA-N
Molecular Weight 202.268 g/mol
SMILES OC(C=1C(OC(C1)SCC)=O)CC
SPLASH splash10-00di-0910000000-bfe027c062e7b9b27e52
Source of Spectrum J-53-3333-9
Synonyms 5-(ethylsulfanyl)-3-(1-hydroxypropyl)-2(5H)-furanone
Wiley ID 1199310