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Selina-1,3,7(11)-trien-8-one
SpectraBase Compound ID 7sraeXLieaN
InChI InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3/t13-,15+/m0/s1
InChIKey DVGWOFUZNUYQPS-DZGCQCFKSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LTW9hthbyj
Name Selina-1,3,7(11)-trien-8-one
CAS Registry Number 179914-19-3
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 216.151415263 u
Formula C15H20O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C15H20O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h5-7,13H,8-9H2,1-4H3/t13-,15+/m0/s1
InChIKey DVGWOFUZNUYQPS-DZGCQCFKSA-N
Molecular Weight 216.324 g/mol
Nominal Mass 216 u
Number of Peaks 164
SMILES C=1C=C[C@]2([C@](C1C)(CC(C(C2)=O)=C(C)C)[H])C
SPLASH splash10-07vl-9600000000-7621e7aa2fe124876a56
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001237