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4-(1,1-Dimethyl-5-hydroxypentyl)-3-cyclohexen-1-one
SpectraBase Compound ID 9AHm9SICCvp
InChI InChI=1S/C13H22O2/c1-13(2,9-3-4-10-14)11-5-7-12(15)8-6-11/h5,14H,3-4,6-10H2,1-2H3
InChIKey LJTWSLGGQCEHDX-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQvlM9NXo0j
Name 4-(1,1-Dimethyl-5-hydroxypentyl)-3-cyclohexen-1-one
Alternate Name(s) 4-(5-hydroxy-1,1-dimethylpentyl)-3-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-13(2,9-3-4-10-14)11-5-7-12(15)8-6-11/h5,14H,3-4,6-10H2,1-2H3
InChIKey LJTWSLGGQCEHDX-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OCCCCC(C1=CCC(CC1)=O)(C)C
SPLASH splash10-000i-0910000000-922daadd3ddf6b7a20ee
Source of Spectrum F-47-2159-16
Wiley ID 1209654