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2-Cyclohexen-1-one, 3-(hydroxymethyl)-6-(1-methylethyl)-
SpectraBase Compound ID J2H35LRBSnd
InChI InChI=1S/C10H16O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,7,9,11H,3-4,6H2,1-2H3
InChIKey KBMLZJYXIJEWHK-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Kx0eT04hs
Name 2-Cyclohexen-1-one, 3-(hydroxymethyl)-6-(1-methylethyl)-
Alternate Name(s) 3-(Hydroxymethyl)-6-isopropyl-2-cyclohexen-1-one 3-(hydroxymethyl)-6-isopropyl-cyclohex-2-en-1-one 3-(hydroxymethyl)-6-propan-2-yl-1-cyclohex-2-enone 3-(hydroxymethyl)-6-propan-2-yl-cyclohex-2-en-1-one 6-isopropyl-3-methylol-cyclohex-2-en-1-one
CAS Registry Number 55955-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,7,9,11H,3-4,6H2,1-2H3
InChIKey KBMLZJYXIJEWHK-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES OCC1=CC(C(C(C)C)CC1)=O
SPLASH splash10-002e-9200000000-308eff12fb8fe9f11ee8
Source of Spectrum B-26-854-3
Wiley ID 1164608