| SpectraBase Compound ID | LqBKXnIq8Vy |
|---|---|
| InChI | InChI=1S/C14H20N2O4/c1-11(13(18)15-8-5-9-17)16-14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,17H,5,8-10H2,1H3,(H,15,18)(H,16,19)/t11-/m0/s1 |
| InChIKey | SSZOVRMKZKHDCH-NSHDSACASA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C14H20N2O4 |
| Exact Mass | 280.142307 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GZdc4GvnGrP |
|---|---|
| Name | N(2)-(Benzyloxycarbonyl)-N(1)-(hydroxypropyl)alaninamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.142307128 u |
| Formula | C14H20N2O4 |
| InChI | InChI=1S/C14H20N2O4/c1-11(13(18)15-8-5-9-17)16-14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7,11,17H,5,8-10H2,1H3,(H,15,18)(H,16,19)/t11-/m0/s1 |
| InChIKey | SSZOVRMKZKHDCH-NSHDSACASA-N |
| SMILES | C(N[C@](C(=O)NCCCO)(C)[H])(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906031 |