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

*Links on SpectraBase are not permalinks.
2-isopentyl-5-methylcyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID DTGhmgdSIuG
InChI InChI=1S/C12H16O2/c1-8(2)4-5-10-7-11(13)9(3)6-12(10)14/h6-8H,4-5H2,1-3H3
InChIKey CDSFQVRLOLNXLX-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 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 99ytiIVl51t
Name 2-isopentyl-5-methylcyclohexa-2,5-diene-1,4-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8(2)4-5-10-7-11(13)9(3)6-12(10)14/h6-8H,4-5H2,1-3H3
InChIKey CDSFQVRLOLNXLX-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202000307
Molecular Weight 192.258 g/mol
SMILES C=1(C(C=C(C(C1)=O)CCC(C)C)=O)C
SPLASH splash10-000i-3900000000-4b9c326f093fea557161
Source of Spectrum CMC-15-SM35-1h
Wiley ID 1856230