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

*Links on SpectraBase are not permalinks.
Diethyl (E)-3-benzoyl-4-(but-1-en-1-yl)cyclopent-3-ene-1,1-dicarboxylate
SpectraBase Compound ID HTWJBp7erbY
InChI InChI=1S/C22H26O5/c1-4-7-11-17-14-22(20(24)26-5-2,21(25)27-6-3)15-18(17)19(23)16-12-9-8-10-13-16/h7-13H,4-6,14-15H2,1-3H3/b11-7+
InChIKey OIUQZRJPPUUFPF-YRNVUSSQSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 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 6WSZCEFpiZY
Name Diethyl (E)-3-benzoyl-4-(but-1-en-1-yl)cyclopent-3-ene-1,1-dicarboxylate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-4-7-11-17-14-22(20(24)26-5-2,21(25)27-6-3)15-18(17)19(23)16-12-9-8-10-13-16/h7-13H,4-6,14-15H2,1-3H3/b11-7+
InChIKey OIUQZRJPPUUFPF-YRNVUSSQSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 370.445 g/mol
Quality 67
Reported Formula C22H26O5
SMILES C(C)OC(=O)C1(CC(=C(C1)\C=C\CC)C(C1=CC=CC=C1)=O)C(=O)OCC
SPLASH splash10-0a6r-5900000000-f77388ba25dbf6b88b86
Sample Comments E/Z = 99:1
Source of Spectrum QE-21-SM19-6i (DOI: 10.1002/chem.201503293)
Wiley ID 1907289