![2-((S)-1-Phenylethyl)-2-azabicyclo[2.2.1]hept-5-en-3-yl]piperidin-1-ylmethanone](/api/spectrum/EtYMe7kIEfv/structure.png?h=300&w=458 "2-((S)-1-Phenylethyl)-2-azabicyclo[2.2.1]hept-5-en-3-yl]piperidin-1-ylmethanone")
| SpectraBase Compound ID | 8MHx0mQ9S2U |
|---|---|
| InChI | InChI=1S/C20H26N2O/c1-15(16-8-4-2-5-9-16)22-18-11-10-17(14-18)19(22)20(23)21-12-6-3-7-13-21/h2,4-5,8-11,15,17-19H,3,6-7,12-14H2,1H3/t15-,17?,18?,19?/m0/s1 |
| InChIKey | QNKNEMVWPNIXDH-XAJACXMCSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C20H26N2O |
| Exact Mass | 310.204513 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtYMe7kIEfv |
|---|---|
| Name | 2-((S)-1-Phenylethyl)-2-azabicyclo[2.2.1]hept-5-en-3-yl]piperidin-1-ylmethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.204513464 u |
| Formula | C20H26N2O |
| InChI | InChI=1S/C20H26N2O/c1-15(16-8-4-2-5-9-16)22-18-11-10-17(14-18)19(22)20(23)21-12-6-3-7-13-21/h2,4-5,8-11,15,17-19H,3,6-7,12-14H2,1H3/t15-,17?,18?,19?/m0/s1 |
| InChIKey | QNKNEMVWPNIXDH-XAJACXMCSA-N |
| Molecular Weight | 310.441 g/mol |
| SMILES | C1(N(C2CC1C=C2)[C@](C1=CC=CC=C1)(C)[H])C(N1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973536 |