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3-(Methylsulfanyl)-3-(1-phenylethyl)tetrahydrofuran-2-one isomer
SpectraBase Compound ID LFnaojuIQLy
InChI InChI=1S/C13H16O2S/c1-10(11-6-4-3-5-7-11)13(16-2)8-9-15-12(13)14/h3-7,10H,8-9H2,1-2H3
InChIKey KBXVALDQQILFCK-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ILvwYEho8
Name 3-(Methylsulfanyl)-3-(1-phenylethyl)tetrahydrofuran-2-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-10(11-6-4-3-5-7-11)13(16-2)8-9-15-12(13)14/h3-7,10H,8-9H2,1-2H3
InChIKey KBXVALDQQILFCK-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C1(C(OCC1)=O)(C(c1ccccc1)C)SC
SPLASH splash10-053r-0900000000-882b692056c8b75604af
Source of Spectrum KC-0-1840-9
Synonyms 3-(Methylsulfanyl)-3-(1-phenylethyl)tetrahydrofuran-2-one 3-(methylsulfanyl)-3-(1-phenylethyl)dihydro-2(3H)-furanone
Wiley ID 781543