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2(1H)-Pentalenone, 3-(3-butenyl)-4,5,6,6a-tetrahydro-6a-methyl-, (.+-.)-
SpectraBase Compound ID Go5nHXsE87T
InChI InChI=1S/C13H18O/c1-3-4-6-10-11-7-5-8-13(11,2)9-12(10)14/h3H,1,4-9H2,2H3
InChIKey GVJWZRNOMVOQTE-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxm0Vw3G67j
Name 2(1H)-Pentalenone, 3-(3-butenyl)-4,5,6,6a-tetrahydro-6a-methyl-, (.+-.)-
Alternate Name(s) 1-(3-Butenyl)-2,3,3a,4,5,6-hexahydro-3a-methyl-pentalen-2-one 1-(3-butenyl)-3a-methyl-3a,4,5,6-tetrahydro-2(3H)-pentalenone
CAS Registry Number 82096-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-3-4-6-10-11-7-5-8-13(11,2)9-12(10)14/h3H,1,4-9H2,2H3
InChIKey GVJWZRNOMVOQTE-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C12=C(C(=O)CC2(CCC1)C)CCC=C
SPLASH splash10-0002-0900000000-d54baccdc36bd29236cc
Source of Spectrum F-37-4362-0
Wiley ID 1186959