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3-Ethoxy-6-(1-methylthiomethoxy-5-methyl-4-hexenyl)-2-cyclohexen-1-one
SpectraBase Compound ID 3P5UGvGxfAT
InChI InChI=1S/C17H28O3S/c1-5-19-14-9-10-15(16(18)11-14)17(20-12-21-4)8-6-7-13(2)3/h7,11,15,17H,5-6,8-10,12H2,1-4H3
InChIKey XTBWWOCUZHRPHV-UHFFFAOYSA-N
Mol Weight 312.47 g/mol
Molecular Formula C17H28O3S
Exact Mass 312.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wNIL2bXwlU
Name 3-Ethoxy-6-(1-methylthiomethoxy-5-methyl-4-hexenyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3S
InChI InChI=1S/C17H28O3S/c1-5-19-14-9-10-15(16(18)11-14)17(20-12-21-4)8-6-7-13(2)3/h7,11,15,17H,5-6,8-10,12H2,1-4H3
InChIKey XTBWWOCUZHRPHV-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 312.468 g/mol
SMILES CCOC=1CCC(C(C1)=O)C(OCSC)CCC=C(C)C
SPLASH splash10-0159-1940000000-1241a9956988fc05fe6d
Source of Spectrum SRH-2022-4624-0
Wiley ID 1826756