| SpectraBase Spectrum ID |
BiPNoAvYSS1 |
| Name |
Methyl 4-(1,2-dicyanoethyl)benzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10N2O2 |
| InChI |
InChI=1S/C12H10N2O2/c1-16-12(15)10-4-2-9(3-5-10)11(8-14)6-7-13/h2-5,11H,6H2,1H3 |
| InChIKey |
XLUVRDDXZPDFON-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201404780 |
| Molecular Weight |
214.224 g/mol |
| Quality |
63 |
| Reported Formula |
C12H10N2O2 |
| SMILES |
COC(C1=CC=C(C=C1)C(CC#N)C#N)=O |
| SPLASH |
splash10-001i-0910000000-e86325d5e6babcbad456 |
| Source of Spectrum |
QE-21-SM17-2l (DOI: 10.1002/chem.201404780) |
| Wiley ID |
1906840 |
