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

*Links on SpectraBase are not permalinks.
Catalponone
SpectraBase Compound ID B3IoIByeMd2
InChI InChI=1S/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey CWIWSAPEOCRNMD-LLVKDONJSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 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 5SHGJPfgTbO
Name Catalponone
CAS Registry Number 58190-97-9
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 228.115029753 u
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11H,8-9H2,1-2H3/t11-/m1/s1
InChIKey CWIWSAPEOCRNMD-LLVKDONJSA-N
Molecular Weight 228.291 g/mol
Number of Peaks 50
RI1 1896
SMILES C1(=O)c2c(C(=O)C[C@]1(CC=C(C)C)[H])cccc2
SPLASH splash10-046r-5910000000-7d1c05f5893c55ac5b0b
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,4-Naphthalenedione, 2,3-dihydro-2-(3-methyl-2-buten-1-yl)-
Wiley ID LM_FFNSC3_2418