| SpectraBase Compound ID | IXbcYATNxDe |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-6(9)5-8(11)13-4-3-7(10)12-2/h5H,3-4,9H2,1-2H3/b6-5+ |
| InChIKey | SZLNCJPLCFVOTJ-AATRIKPKSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Zv0mg0oSfH |
|---|---|
| Name | Methyl 3-amino-2-butenyl propanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.084457899 u |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-6(9)5-8(11)13-4-3-7(10)12-2/h5H,3-4,9H2,1-2H3/b6-5+ |
| InChIKey | SZLNCJPLCFVOTJ-AATRIKPKSA-N |
| Molecular Weight | 187.195 g/mol |
| SMILES | C(\C=C/(N)C)(=O)OCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982566 |