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Verbenone
SpectraBase Compound ID 1RX4wRROtu2
InChI InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChIKey DCSCXTJOXBUFGB-UHFFFAOYSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9ohk72KXKq
Name Verbenone
Source of Sample SAFC Cat. #W506907
CAS Registry Number 80-57-9
Classification Pesticides: Repellents
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 150.104465070 u
Formula C10H14O
InChI InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
InChIKey DCSCXTJOXBUFGB-UHFFFAOYSA-N
Molecular Weight 150.221 g/mol
Number of Peaks 50
RI1 1208
SMILES C1(=CC(C2C(C1C2)(C)C)=O)C
SPLASH splash10-0a6u-9500000000-444b5e7f6259c0983376
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-
Wiley ID LM_PEST_1197