| SpectraBase Compound ID | JweSOQoBQW8 |
|---|---|
| InChI | InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1 |
| InChIKey | RFCVXVPWSPOMFJ-STQMWFEESA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C15H22N2O3 |
| Exact Mass | 278.163043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DOsnxN5mow8 |
|---|---|
| Name | phe-leu-oh |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.163042573 u |
| Formula | C15H22N2O3 |
| InChI | InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1 |
| InChIKey | RFCVXVPWSPOMFJ-STQMWFEESA-N |
| SMILES | C([C@@](C(N[C@@](CC(C)C)(C(O)=O)[H])=O)(N)[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958815 |