| SpectraBase Compound ID | 4mBDisO0d7r |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10) |
| InChIKey | GTVWZSTVCZTLRU-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C8H15NO3 |
| Exact Mass | 173.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D30QgS3eqiX |
|---|---|
| Name | L-Alanine, N-butyryl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.105193344 u |
| Formula | C8H15NO3 |
| InChI | InChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10) |
| InChIKey | GTVWZSTVCZTLRU-UHFFFAOYSA-N |
| Molecular Weight | 173.212 g/mol |
| SMILES | CC(C(OC)=O)NC(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976946 |