| SpectraBase Compound ID | C21Z9aYamL6 |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-7(2)6-8(11)10-5-4-9(12)13-3/h7H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | VAYBBIRAMWOFDN-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4UcZ6wtbqVC |
|---|---|
| Name | .beta.-Alanine, N-(3-methylbutyryl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.120843408 u |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-7(2)6-8(11)10-5-4-9(12)13-3/h7H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | VAYBBIRAMWOFDN-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | CC(CC(NCCC(OC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97636 |