| SpectraBase Compound ID | 9mvYuS2rPtd |
|---|---|
| InChI | InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2 |
| InChIKey | FTNJQNQLEGKTGD-UHFFFAOYSA-N |
| Mol Weight | 122.12 g/mol |
| Molecular Formula | C7H6O2 |
| Exact Mass | 122.036779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GX9Mf2lx0We |
|---|---|
| Name | 1,3-Benzodioxole |
| CAS Registry Number | 274-09-9 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 122.036779431 u |
| Formula | C7H6O2 |
| InChI | InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2 |
| InChIKey | FTNJQNQLEGKTGD-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 122.123 g/mol |
| Nominal Mass | 122 u |
| Quality | 824 |
| Retention Index | 1400 |
| SMILES | C12=C(OCO2)C=CC=C1 |
| SPLASH | splash10-00di-5900000000-e7426ff074d8a76ee049 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 1,3-benzodioxole |
| Technique | GC/MS |
| Wiley ID | DD2024_018383 |