For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(1-Acetoxy-1-methyl-ethyl)-2-methyl-2-cyclohexen-1-one
SpectraBase Compound ID HhUcv99Rj5i
InChI InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
InChIKey FTCAQUBXEGKQTD-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ky6uwps0tPs
Name Carvotanacetone<8-acetoxy->
CAS Registry Number 87578-93-6
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 210.125594437 u
Formula C12H18O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
InChIKey FTCAQUBXEGKQTD-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
Nominal Mass 210 u
Number of Peaks 89
SMILES C1(C(=CCC(C1)C(C)(C)OC(=O)C)C)=O
SPLASH splash10-052f-9400000000-8fa620364fcdac6ae3f8
Source ex PETER WEYERSTAHL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001480