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(-)-TRANS-GAMMA-IRONE
SpectraBase Compound ID 9CJ3V0VPZUs
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-/m0/s1
InChIKey MVPDTCQYNRKWJA-SXDPYWSBSA-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 2yi0qqOgZht
Name (E)-4-[(1S,3S)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one
CAS Registry Number 127128-56-7
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-/m0/s1
InChIKey MVPDTCQYNRKWJA-SXDPYWSBSA-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 splash10-0596-9600000000-1ca97efdcc0d4a150253
Source of Spectrum H-76-2081-0
Synonyms .gamma.-irone 3z-3'R-gamma.-irone (3Z))-4-[(1'S,3'S)-2',2',3'-Trimethyl-6'-methylidenecyclohexyl]but-3-en-2-one (3E))-4-[(1'S,3'S)-2',2',3'-Trimethyl-6'-methylidenecyclohexyl]but-3-en-2-one (E)-4-[(1S,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-3-buten-2-one (3Z))-4-[(3' R)-2',2',3'-Trimethyl-6'-methylidenecyclohexyl]but-3-en-2-one (3E))-4-[(3' R)-2',2',3'-Trimethyl-6'-methylidenecyclohexyl]but-3-en-2-one (E)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidene-cyclohexyl]but-3-en-2-one (E)-4-[(1S,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-one
Wiley ID 1205267