SpectraBase Spectrum ID |
B2j5JZN00Vk |
Name |
8-Ethylidene-3,4,4a,5,7,8-hexahydro-1H-benzo[7]annulen-6(2H)-one |
Appearance |
Pale yellow oil |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
190.135765199 u |
Formula |
C13H18O |
InChI |
InChI=1S/C13H18O/c1-2-10-7-11-5-3-4-6-12(11)9-13(14)8-10/h2,7,12H,3-6,8-9H2,1H3 |
InChIKey |
IBTMOFLXRMODRL-UHFFFAOYSA-N |
Instrument Name |
Agilent Technologies 7890A-5975C |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201404487 |
Molecular Weight |
190.286 g/mol |
Quality |
389 |
Reported Formula |
C13H18O |
SMILES |
C(C)=C1C=C2C(CC(C1)=O)CCCC2 |
SPLASH |
splash10-0006-3900000000-816eb05fde9e88be99a7 |
Sample Comments |
dr = 2.9:1 |
Source of Spectrum |
QE-21-SM25-35i' (DOI: 10.1002/chem.201404487) |
Thin-Layer Chromatography |
0.35 (PE/EtOAc, 90:10) |
Wiley ID |
1906815 |