| SpectraBase Compound ID | iNYL4FBzMV |
|---|---|
| InChI | InChI=1S/C18H25N3O2/c1-13(14-7-3-2-4-8-14)20-17(22)16-10-6-12-21(16)18(23)15-9-5-11-19-15/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,20,22)/t13-,15+,16+/m1/s1 |
| InChIKey | BENZEPJNMLMMGW-KBMXLJTQSA-N |
| Mol Weight | 315.42 g/mol |
| Molecular Formula | C18H25N3O2 |
| Exact Mass | 315.194677 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2zkTLKB4LJm |
|---|---|
| Name | (S)-1-(L-Prolyl)-N-((R)-1-phenylethyl)pyrrolidine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.194677055 u |
| Formula | C18H25N3O2 |
| InChI | InChI=1S/C18H25N3O2/c1-13(14-7-3-2-4-8-14)20-17(22)16-10-6-12-21(16)18(23)15-9-5-11-19-15/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,20,22)/t13-,15+,16+/m1/s1 |
| InChIKey | BENZEPJNMLMMGW-KBMXLJTQSA-N |
| Molecular Weight | 315.417 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(NCCC1)[H])=O)(C(=O)N[C@](C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830628 |