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3-Hexanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-
SpectraBase Compound ID IUjr0pezyra
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h6,8,12,14H,5,7,9-11H2,1-4H3/t12-,14+/m1/s1
InChIKey FYWYEPJMUFQYGK-OCCSQVGLSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LtSMFE6Yvy
Name 3-Hexanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-
CAS Registry Number 106201-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h6,8,12,14H,5,7,9-11H2,1-4H3/t12-,14+/m1/s1
InChIKey FYWYEPJMUFQYGK-OCCSQVGLSA-N
Molecular Weight 222.372 g/mol
SMILES [C@@]1(C(CC=C[C@]1(C)[H])(C)C)(CCC(=O)CCC)[H]
SPLASH splash10-00dr-9600000000-995362edef6cf9cd3c09
Source of Spectrum H-68-1974-78
Synonyms 1-(trans-2,6,6-trimethyl-3-cyclohexenyl)-3-hexanon 1-[(1S,2R)-2,6,6-trimethyl-3-cyclohexen-1-yl]-3-hexanone
Wiley ID 1223440