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Z-Trimenal
SpectraBase Compound ID LQk0pzKj5Ha
InChI InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3/b12-8-
InChIKey MINJGYRWHNAENM-WQLSENKSSA-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 B3Ygc4440WW
Name Z-Trimenal
CAS Registry Number 300733-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C13H22O/c1-11(2)6-5-7-12(3)8-9-13(4)10-14/h8,10,13H,1,5-7,9H2,2-4H3/b12-8-
InChIKey MINJGYRWHNAENM-WQLSENKSSA-N
Molecular Weight 194.318 g/mol
SMILES C(CCC(=C)C)\C(=C/CC(C=O)C)C
SPLASH splash10-014l-9100000000-2ac6531ed91787ffb823
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Trimenal
Wiley ID 1887113