| SpectraBase Compound ID | JBQ8WInKntm |
|---|---|
| InChI | InChI=1S/C9H15NO4/c1-7(10)6-9(12)14-5-3-4-8(11)13-2/h6H,3-5,10H2,1-2H3/b7-6+ |
| InChIKey | PGXZQMMIEAKEIF-VOTSOKGWSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C9H15NO4 |
| Exact Mass | 201.100108 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I7KGq0QRXR0 |
|---|---|
| Name | Methyl 3-amino-2-butenyl butanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.100107963 u |
| Formula | C9H15NO4 |
| InChI | InChI=1S/C9H15NO4/c1-7(10)6-9(12)14-5-3-4-8(11)13-2/h6H,3-5,10H2,1-2H3/b7-6+ |
| InChIKey | PGXZQMMIEAKEIF-VOTSOKGWSA-N |
| Molecular Weight | 201.222 g/mol |
| SMILES | C(\C=C/(N)C)(=O)OCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944071 |