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1,2-trans-1-(2-Methylcyclohex-3-enyl)hexan-1-one
SpectraBase Compound ID 9is4JqEVWXV
InChI InChI=1S/C13H22O/c1-3-4-5-10-13(14)12-9-7-6-8-11(12)2/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKey WOSOZYXHAGNVGE-RYUDHWBXSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jLiYp3BgbK
Name 1,2-trans-1-(2-Methylcyclohex-3-enyl)hexan-1-one
Alternate Name(s) 1-((1S,2S)-2-methylcyclohex-3-en-1-yl)hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-3-4-5-10-13(14)12-9-7-6-8-11(12)2/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKey WOSOZYXHAGNVGE-RYUDHWBXSA-N
Literature Reference DOI 10.1021/jo500942a
Molecular Weight 194.318 g/mol
SMILES [C@]1(CCC=C[C@@]1(C)[H])(C(=O)CCCCC)[H]
SPLASH splash10-006t-9000000000-05ecafe9a8fc481aae90
Source of Spectrum J-79-6730-22
Wiley ID 1746312