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3,5-Octadien-2-one, 8-(2,2-dimethyl-6-methylenecyclohexyl)-6-methyl-, [S-(E,E)]-
SpectraBase Compound ID I8pbxoZSzra
InChI InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,17H,2,7,9,11-13H2,1,3-5H3/b10-6+,14-8+/t17-/m1/s1
InChIKey KEXFACKEWVXUJY-VUSCCGPNSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLavdtpdDH3
Name 3,5-Octadien-2-one, 8-(2,2-dimethyl-6-methylenecyclohexyl)-6-methyl-, [S-(E,E)]-
CAS Registry Number 83631-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,17H,2,7,9,11-13H2,1,3-5H3/b10-6+,14-8+/t17-/m1/s1
InChIKey KEXFACKEWVXUJY-VUSCCGPNSA-N
Molecular Weight 260.421 g/mol
SMILES [C@@]1(C(=C)CCCC1(C)C)(CC\C(=C\C=C\C(=O)C)C)[H]
SPLASH splash10-05fr-0900000000-89ed5899bb3c3c3ff8b0
Source of Spectrum F-38-1841-0
Synonyms (3E,5E)-8-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-6-methyl-3,5-octadien-2-one Dinortrixagone
Wiley ID 1264291