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2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-propyl-, (.+-.)-
SpectraBase Compound ID Dcnp1TvDBpi
InChI InChI=1S/C12H20O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h8-9,13H,4-7H2,1-3H3
InChIKey HAUPSJLKEMKYHD-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FE2b58IZ6zD
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-propyl-, (.+-.)-
Alternate Name(s) 3-Hydroxy-5-isopropyl-2-propyl-2-cyclohexen-1-one
CAS Registry Number 79862-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h8-9,13H,4-7H2,1-3H3
InChIKey HAUPSJLKEMKYHD-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES OC1=C(C(CC(C(C)C)C1)=O)CCC
SPLASH splash10-00ke-9200000000-fb5626f41fab060397d8
Source of Spectrum H-64-1493-0
Wiley ID 1193425