| SpectraBase Compound ID | KBX3zuSa4sw |
|---|---|
| InChI | InChI=1S/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3 |
| InChIKey | XEKUXTMJEFPWCG-UHFFFAOYSA-N |
| Mol Weight | 123.54 g/mol |
| Molecular Formula | C3H6ClNO2 |
| Exact Mass | 123.008706 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4nBOykaJGmp |
|---|---|
| Name | 1-Chloro-1-nitropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.008706135 u |
| Formula | C3H6ClNO2 |
| InChI | InChI=1S/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3 |
| InChIKey | XEKUXTMJEFPWCG-UHFFFAOYSA-N |
| Molecular Weight | 123.539 g/mol |
| SMILES | N(=O)(=O)C(CC)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.777783 |