| SpectraBase Spectrum ID |
5a5bkejGXAe |
| Name |
1,3-Benzodioxol-5-carbonitrile |
| Appearance |
White solid |
| 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 |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600549 |
| Molecular Weight |
147.133 g/mol |
| Quality |
225 |
| SMILES |
C1OC2=C(O1)C=C(C=C2)C#N |
| SPLASH |
splash10-0002-2900000000-422c7a46f9f48ef12c60 |
| Source of Spectrum |
QE-22-SM13-Table 2, entry 20 (DOI: 10.1002/chem.201600549) |
| Wiley ID |
1903096 |
