| SpectraBase Compound ID | 2gSqAIt7gdF |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-6-4-7-2-3-8(11(13)14)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3 |
| InChIKey | MXBMUFMYTWFPOS-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AqLTfx7eehg |
|---|---|
| Name | 2-Methyl-6-nitroindan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-6-4-7-2-3-8(11(13)14)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3 |
| InChIKey | MXBMUFMYTWFPOS-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | CC1C(C2=CC(=CC=C2C1)[N+](=O)[O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809483 |