| SpectraBase Compound ID | BWw1S5LtlRM |
|---|---|
| InChI | InChI=1S/C8H9NO2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-3H,4-5,9H2 |
| InChIKey | MUSIFRYVOVSNMY-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HFtB2l4tioK |
|---|---|
| Name | 6-Amino-1,3-benzodioxan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-3H,4-5,9H2 |
| InChIKey | MUSIFRYVOVSNMY-UHFFFAOYSA-N |
| SMILES | NC1=CC=2COCOC2C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.888992 |