| SpectraBase Spectrum ID |
IyA5RKn7UGn |
| Name |
Methyl 4-(2-cyanoethyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO2 |
| InChI |
InChI=1S/C11H11NO2/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-7H,2-3H2,1H3 |
| InChIKey |
XERRGOIBNMMMJM-UHFFFAOYSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201908372 |
| Molecular Weight |
189.214 g/mol |
| Reported Formula |
C11H11O2N |
| SMILES |
COC(c1ccc(cc1)CCC#N)=O |
| SPLASH |
splash10-0a4s-1900000000-6d2a302ae7c043d642e9 |
| Source of Spectrum |
ACI-58-SM10-2d |
| Wiley ID |
1875692 |
