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(-)-(1'S,3'S,3E)-4-(2',2',3'-TRIMETHYL-6'-METHYLIDENECYCLOHEX-1'-YL)-BUT-3-EN-2-ONE;((-)-(2S,6S)-TRANS-GAMMA-IRONE)
SpectraBase Compound ID 1SMRmSpHRrZ
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13-/m1/s1
InChIKey MVPDTCQYNRKWJA-UULPFXLMSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qVk9dv2pou
Name 3-Buten-2-one, 4-(2,2,3-trimethyl-6-methylenecyclohexyl)-, trans-(.+-.)-
Alternate Name(s) (+,-)trans-2,6-.gamma.-irone (3E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylenecyclohexyl]-3-buten-2-one (E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylenecyclohexyl]-3-buten-2-one (E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-one (E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylidene-cyclohexyl]but-3-en-2-one
CAS Registry Number 73365-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11,13H,1,6-7H2,2-5H3/b9-8+/t11-,13-/m1/s1
InChIKey MVPDTCQYNRKWJA-UULPFXLMSA-N
Molecular Weight 206.329 g/mol
SMILES [C@]1(C([C@](C)(CCC1=C)[H])(C)C)(\C=C\C(=O)C)[H]
SPLASH splash10-0536-9400000000-ea2dc095ddae0f140ba0
Source of Spectrum AC-1979-15-0
Wiley ID 1205034