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2(3H)-Furanone, dihydro-4-[1-(methylthio)-2-octenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID 4gND9Z3Ppxu
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-7-8-12(16-2)11-9-13(14)15-10-11/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12+/m0/s1
InChIKey FSHFKZNPDSOWKS-ADYIUWEDSA-N
Mol Weight 242.38 g/mol
Molecular Formula C13H22O2S
Exact Mass 242.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHwPGi2D1x6
Name 2(3H)-Furanone, dihydro-4-[1-(methylthio)-2-octenyl]-, [R*,S*-(E)]-
CAS Registry Number 113460-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-7-8-12(16-2)11-9-13(14)15-10-11/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12+/m0/s1
InChIKey FSHFKZNPDSOWKS-ADYIUWEDSA-N
Molecular Weight 242.377 g/mol
SMILES C1(OC[C@](C1)([C@@](\C=C\CCCCC)(SC)[H])[H])=O
SPLASH splash10-00mo-9300000000-715f1407851489628ca2
Source of Spectrum B-40-1243-25
Synonyms (1'S(*),2'E,3R(*))-3-[1'-(methylthio)oct-2'-enyl]butan-4-olide (4S)-4-[(1R,2E)-1-(methylsulfanyl)-2-octenyl]dihydro-2(3H)-furanone
Wiley ID 1244922