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2(3H)-Furanone, dihydro-4-[1-[2-(methylthio)ethenyl]hexyl]-, [R*,S*-(E)]-
SpectraBase Compound ID 4EU1j0ZC6Yn
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-11(7-8-16-2)12-9-13(14)15-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12+/m1/s1
InChIKey ZGRHNGVBYFNUAX-LASXONHFSA-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 3ePeFpNJErz
Name 2(3H)-Furanone, dihydro-4-[1-[2-(methylthio)ethenyl]hexyl]-, [R*,S*-(E)]-
Alternate Name(s) (1'S(*),2'E,3R(*))-3-[3'-(methylthio)-1'-pentylprop-2'-enyl]butan-4-olide (4R)-4-[(1S,2E)-3-(methylsulfanyl)-1-pentyl-2-propenyl]dihydro-2(3H)-furanone
CAS Registry Number 113460-84-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2S
InChI InChI=1S/C13H22O2S/c1-3-4-5-6-11(7-8-16-2)12-9-13(14)15-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t11-,12+/m1/s1
InChIKey ZGRHNGVBYFNUAX-LASXONHFSA-N
Molecular Weight 242.377 g/mol
SMILES C1(OC[C@](C1)([C@@](\C=C\SC)(CCCCC)[H])[H])=O
SPLASH splash10-052r-9600000000-f7734d5b2e88e959863e
Source of Spectrum B-40-1242-26
Wiley ID 1244919