| SpectraBase Compound ID | H1UJ8S5kNoy |
|---|---|
| InChI | InChI=1S/C5H8ClNO4/c1-5(6,3-7(9)10)4(8)11-2/h3H2,1-2H3 |
| InChIKey | PGWQGQRZRTVDDE-UHFFFAOYSA-N |
| Mol Weight | 181.57 g/mol |
| Molecular Formula | C5H8ClNO4 |
| Exact Mass | 181.014185 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KqekIbXjC7X |
|---|---|
| Name | Propionic acid, 2-chloro-2-methyl-3-nitro-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.014185438 u |
| Formula | C5H8ClNO4 |
| InChI | InChI=1S/C5H8ClNO4/c1-5(6,3-7(9)10)4(8)11-2/h3H2,1-2H3 |
| InChIKey | PGWQGQRZRTVDDE-UHFFFAOYSA-N |
| SMILES | C([N+]([O-])=O)C(Cl)(C(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.946862 |