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BETA-DAMASCON
SpectraBase Compound ID 1bdaBAhRa6y
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKey BGTBFNDXYDYBEY-FNORWQNLSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOIZwedqsHb
Name Damascone <(E)-beta->
CAS Registry Number 23726-91-2
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 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChIKey BGTBFNDXYDYBEY-FNORWQNLSA-N
Molecular Weight 192.302 g/mol
Number of Peaks 50
RI1 1414
RI2 1093
RI3 1202
RI4 1162
RI5 1395
SMILES CC1=C(C(CCC1)(C)C)C(\C=C\C)=O
SPLASH splash10-00tf-7900000000-8cd7c89f80c0c8358a7f
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
Wiley ID LM_FFNSC3_3229