| SpectraBase Compound ID | JEgdhsBHht9 |
|---|---|
| InChI | InChI=1S/C6H9NO2/c1-9-6(8)7-4-2-3-5-7/h2-3H,4-5H2,1H3 |
| InChIKey | VCXZJBRVEJBECK-UHFFFAOYSA-N |
| Mol Weight | 127.14 g/mol |
| Molecular Formula | C6H9NO2 |
| Exact Mass | 127.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | mb9BTCJ4gS |
|---|---|
| Name | Methyl-3-pyrroline-1-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.063328532 u |
| Formula | C6H9NO2 |
| InChI | InChI=1S/C6H9NO2/c1-9-6(8)7-4-2-3-5-7/h2-3H,4-5H2,1H3 |
| InChIKey | VCXZJBRVEJBECK-UHFFFAOYSA-N |
| Molecular Weight | 127.143 g/mol |
| SMILES | C1N(CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976576 |