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3-[(E)-But-1-enyl]-2,4,4-trimethyl-cyclohex-2-enol
SpectraBase Compound ID AHdoOWSPQpI
InChI InChI=1S/C13H22O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h6-7,12,14H,5,8-9H2,1-4H3/b7-6+
InChIKey SPJJJLMGNIWHRG-VOTSOKGWSA-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 7iwGXhIr2np
Name 3-[(E)-But-1-enyl]-2,4,4-trimethyl-cyclohex-2-enol
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h6-7,12,14H,5,8-9H2,1-4H3/b7-6+
InChIKey SPJJJLMGNIWHRG-VOTSOKGWSA-N
Instrument Name HP 5890 Series II-5972
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3679
Molecular Weight 194.318 g/mol
Number of Peaks 4
SMILES OC1C(=C(C(CC1)(C)C)\C=C\CC)C
SPLASH splash10-0006-9300000000-b45b5882d9469b7de5e9
Source of Spectrum SFA-89-1953-20 (DOI: 10.1002/jsfa.3679)
Wiley ID 1840253