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

*Links on SpectraBase are not permalinks.
2-Cyclobutyl-3-hydroxy-5-pentylcyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 2U7lpY0lgtP
InChI InChI=1S/C15H20O3/c1-2-3-4-6-11-9-12(16)13(10-7-5-8-10)15(18)14(11)17/h9-10,18H,2-8H2,1H3
InChIKey CDKXYMPDOUAMBV-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 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 DI7B9NpQMCi
Name 2-Cyclobutyl-3-hydroxy-5-pentylcyclohexa-2,5-diene-1,4-dione
Appearance Bright orange prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-2-3-4-6-11-9-12(16)13(10-7-5-8-10)15(18)14(11)17/h9-10,18H,2-8H2,1H3
InChIKey CDKXYMPDOUAMBV-UHFFFAOYSA-N
Instrument Name Fisons VG70-SE or Thermo Finnigan MAT900xp
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.201900548
Molecular Weight 248.322 g/mol
Reported Formula C15H20O3
SMILES OC1=C(C(C=C(C1=O)CCCCC)=O)C1CCC1
SPLASH splash10-03k9-0950000000-038a07188470358d17cd
Source of Spectrum CMC-15-SM31-9m
Wiley ID 1839975