| SpectraBase Spectrum ID |
k3tFW2M7OC |
| Name |
Piperonylonitrile |
| Alternate Name(s) |
Piperonylnitrile
1,3-Benzodioxole-5-carbonitrile
3,4-Methylene dioxy benzonitrile
Benzo[d][1,3]dioxole-5-carbonitrile
Benzo-1,3-dioxole-5-carbonitrile
Benzonitrile, 3,4-methylenedioxy-
AI3-31574
BRN 0006224
EINECS 224-590-6
NSC 27009 |
| CAS Registry Number |
4421-09-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H5NO2 |
| InChI |
InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2 |
| InChIKey |
PKRWWZCDLJSJIF-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/anie.201412256 |
| Molecular Weight |
147.133 g/mol |
| SMILES |
c1c2c(cc(C#N)c1)OCO2 |
| SPLASH |
splash10-0002-2900000000-d63bb69bd3ec71db8400 |
| Source of Spectrum |
ACI-54-4241/SMS16-3i |
| Wiley ID |
1760529 |
