| SpectraBase Compound ID | 9VZT0Yy3lAK |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | OQBJLKIDAPUHSY-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 | K3WPz2h67Wg |
|---|---|
| Name | (2-Nitropropyl)benzene |
| 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/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | OQBJLKIDAPUHSY-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | N(=O)(=O)C(CC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.983312 |