| SpectraBase Spectrum ID |
24pFAby60Nb |
| Name |
4-butyl-3-nitrobenzonitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.089877632 u |
| Formula |
C11H12N2O2 |
| InChI |
InChI=1S/C11H12N2O2/c1-2-3-4-10-6-5-9(8-12)7-11(10)13(14)15/h5-7H,2-4H2,1H3 |
| InChIKey |
YHNCDGLFSOOZQT-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701691 |
| Molecular Weight |
204.229 g/mol |
| Quality |
197 |
| Reported Formula |
C11H12N2O2 |
| SMILES |
C(CCC)C1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| SPLASH |
splash10-00ks-0900000000-5ac0319ed1d2711f9800 |
| Source of Spectrum |
ACI-56-SM19-6k (DOI: 10.1002/anie.201701691) |
| Thin-Layer Chromatography |
0.2 (Hexane/EtOAc, 10:1) |
| Wiley ID |
1896012 |
