| SpectraBase Compound ID | Ab7lBfnX6Xh |
|---|---|
| InChI | InChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13) |
| InChIKey | YRGUXIFUHXGBAZ-UHFFFAOYSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C10H19NO3 |
| Exact Mass | 201.136493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTxDCyiiZVO |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.136493473 u |
| Formula | C10H19NO3 |
| InChI | InChI=1S/C10H19NO3/c1-4-7-14-9(12)5-6-11-10(13)8(2)3/h8H,4-7H2,1-3H3,(H,11,13) |
| InChIKey | YRGUXIFUHXGBAZ-UHFFFAOYSA-N |
| Molecular Weight | 201.266 g/mol |
| SMILES | CC(C)C(NCCC(=O)OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966473 |