| SpectraBase Compound ID | BUFH35O94IZ |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4,10H,5-6H2,1H3 |
| InChIKey | CEPGPPSMCRKGFJ-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5GUbjsvhnww |
|---|---|
| Name | 1,3-Benzodioxol-5-ylmethyl-methyl-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4,10H,5-6H2,1H3 |
| InChIKey | CEPGPPSMCRKGFJ-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C=12OCOC1C=CC(=C2)CNC |
| Spectrum/Structure Validation Score (Raman) | 0.910645 |