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1-(2',6',6'-Trimethyl cyclohex-2'-en-1'-yl)-trans-but-2-en-1-ol
SpectraBase Compound ID 7oN8DJElB6r
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,11-12,14H,6,9H2,1-4H3/b7-5+
InChIKey YNRMZCWYKACRDW-FNORWQNLSA-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 AUgNRrZXEWt
Name (2E)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-ol
Alternate Name(s) (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-buten-1-ol (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-ol
CAS Registry Number 28102-24-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,11-12,14H,6,9H2,1-4H3/b7-5+
InChIKey YNRMZCWYKACRDW-FNORWQNLSA-N
Molecular Weight 194.318 g/mol
SMILES OC(\C=C\C)C1C(=CCCC1(C)C)C
SPLASH splash10-0006-9100000000-a6feae4f387e10a197ef
Source of Spectrum J-55-1108-6
Wiley ID 1191486