| SpectraBase Compound ID | EVs0GPIf5OP |
|---|---|
| InChI | InChI=1S/C25H33NO4/c1-4-12-25(13-10-19-7-5-9-21(16-19)30-3)14-11-23(27)22(17-25)24(28)26-15-6-8-20(26)18-29-2/h4-5,7,9,16-17,20H,1,6,8,10-15,18H2,2-3H3/t20-,25+/m0/s1 |
| InChIKey | YJIHVHWPPNMNCT-NBGIEHNGSA-N |
| Mol Weight | 411.5 g/mol |
| Molecular Formula | C25H33NO4 |
| Exact Mass | 411.240959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EHoVxiyDToD |
|---|---|
| Name | (R)-4-Allyl-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-4-(3-methoxyphenethyl)cyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.240958543 u |
| Formula | C25H33NO4 |
| InChI | InChI=1S/C25H33NO4/c1-4-12-25(13-10-19-7-5-9-21(16-19)30-3)14-11-23(27)22(17-25)24(28)26-15-6-8-20(26)18-29-2/h4-5,7,9,16-17,20H,1,6,8,10-15,18H2,2-3H3/t20-,25+/m0/s1 |
| InChIKey | YJIHVHWPPNMNCT-NBGIEHNGSA-N |
| Molecular Weight | 411.542 g/mol |
| SMILES | C([C@@]1(C=C(C(N2[C@@](CCC2)(COC)[H])=O)C(=O)CC1)CCC1=CC(=CC=C1)OC)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918448 |