| SpectraBase Compound ID | GIuAclipyYC |
|---|---|
| InChI | InChI=1S/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t12-,14-/m0/s1 |
| InChIKey | CWMXJBNCYBDNTJ-JSGCOSHPSA-N |
| Mol Weight | 336.39 g/mol |
| Molecular Formula | C17H24N2O5 |
| Exact Mass | 336.168522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J7Mh8SqZb5W |
|---|---|
| Name | N-cbz-L-Leucyl-L-alanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.168521876 u |
| Formula | C17H24N2O5 |
| InChI | InChI=1S/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t12-,14-/m0/s1 |
| InChIKey | CWMXJBNCYBDNTJ-JSGCOSHPSA-N |
| Molecular Weight | 336.388 g/mol |
| SMILES | C(=O)(OCC=1C=CC=CC1)N[C@@](CC(C)C)(C(N[C@](C(=O)O)(C)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917551 |