| SpectraBase Spectrum ID |
GYBMKOOpYhc |
| Name |
Piperonylonitrile |
| CAS Registry Number |
4421-09-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
147.032028403 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.133 g/mol |
| Nominal Mass |
147 u |
| Quality |
988 |
| Retention Index |
1300 |
| SMILES |
C1=2C(=CC=C(C2)C#N)OCO1 |
| SPLASH |
splash10-0002-6900000000-6048fb4b94dd345eb7a4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-benzodioxole-5-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005935 |
