| SpectraBase Compound ID | 2I2dJakmUu4 |
|---|---|
| InChI | InChI=1S/C29H31N3O3/c1-20(21-10-3-2-4-11-21)30-27(33)25-16-8-18-31(25)29(35)26-17-9-19-32(26)28(34)24-15-7-13-22-12-5-6-14-23(22)24/h2-7,10-15,20,25-26H,8-9,16-19H2,1H3,(H,30,33)/t20-,25+,26+/m1/s1 |
| InChIKey | FKLFVHDMQABLKD-BQQUOAEZSA-N |
| Mol Weight | 469.59 g/mol |
| Molecular Formula | C29H31N3O3 |
| Exact Mass | 469.236542 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2QhbwuSwWpl |
|---|---|
| Name | (S)-1-((1-Naphthoyl)-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 | 469.236541867 u |
| Formula | C29H31N3O3 |
| InChI | InChI=1S/C29H31N3O3/c1-20(21-10-3-2-4-11-21)30-27(33)25-16-8-18-31(25)29(35)26-17-9-19-32(26)28(34)24-15-7-13-22-12-5-6-14-23(22)24/h2-7,10-15,20,25-26H,8-9,16-19H2,1H3,(H,30,33)/t20-,25+,26+/m1/s1 |
| InChIKey | FKLFVHDMQABLKD-BQQUOAEZSA-N |
| Molecular Weight | 469.585 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=CC=2C1=CC=CC2)=O)[H])=O)(C(=O)N[C@](C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953795 |