| SpectraBase Compound ID | VFpqXOub8G |
|---|---|
| InChI | InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2 |
| InChIKey | ZQPBOYASBNAXOZ-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GIEXIRuXoGT |
|---|---|
| Name | 3,4-Methylenedioxyphenylacetonitrile |
| Alternate Name(s) | 2-(benzo[d][1,3]dioxol-5-yl)acetonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2 |
| InChIKey | ZQPBOYASBNAXOZ-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | C(Cc1cc2c(cc1)OCO2)#N |
| SPLASH | splash10-03di-3900000000-e0e02bf095a7d1d6bb27 |
| Source of Spectrum | SWG-33-1408-0 |
| Wiley ID | 1809167 |