| SpectraBase Compound ID | HVZ2PC9253 |
|---|---|
| InChI | InChI=1S/C5H6ClNO3/c1-10-5(9)3-2(6)4(8)7-3/h2-3H,1H3,(H,7,8)/t2-,3-/m0/s1 |
| InChIKey | WISIBGXFXZKWEB-HRFVKAFMSA-N |
| Mol Weight | 163.56 g/mol |
| Molecular Formula | C5H6ClNO3 |
| Exact Mass | 163.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JBSyEqPwA3A |
|---|---|
| Name | 3-Chloro-4-oxoazetidine-2-carboxylic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.003620754 u |
| Formula | C5H6ClNO3 |
| InChI | InChI=1S/C5H6ClNO3/c1-10-5(9)3-2(6)4(8)7-3/h2-3H,1H3,(H,7,8)/t2-,3-/m0/s1 |
| InChIKey | WISIBGXFXZKWEB-HRFVKAFMSA-N |
| SMILES | [C@]1(NC([C@]1(Cl)[H])=O)(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978134 |