![Benzamide, N-[2-(1-cyclohexen-1-yl)cycloheptyl]-, trans-](/api/spectrum/6nzTZwpCTVL/structure.png?h=300&w=458 "Benzamide, N-[2-(1-cyclohexen-1-yl)cycloheptyl]-, trans-")
| SpectraBase Compound ID | GXgLRpUB496 |
|---|---|
| InChI | InChI=1S/C20H27NO/c22-20(17-12-6-2-7-13-17)21-19-15-9-3-8-14-18(19)16-10-4-1-5-11-16/h2,6-7,10,12-13,18-19H,1,3-5,8-9,11,14-15H2,(H,21,22)/t18-,19+/m0/s1 |
| InChIKey | AUBRAORKRDHKBG-RBUKOAKNSA-N |
| Mol Weight | 297.44 g/mol |
| Molecular Formula | C20H27NO |
| Exact Mass | 297.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6nzTZwpCTVL |
|---|---|
| Name | Benzamide, N-[2-(1-cyclohexen-1-yl)cycloheptyl]-, trans- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.209264492 u |
| Formula | C20H27NO |
| InChI | InChI=1S/C20H27NO/c22-20(17-12-6-2-7-13-17)21-19-15-9-3-8-14-18(19)16-10-4-1-5-11-16/h2,6-7,10,12-13,18-19H,1,3-5,8-9,11,14-15H2,(H,21,22)/t18-,19+/m0/s1 |
| InChIKey | AUBRAORKRDHKBG-RBUKOAKNSA-N |
| SMILES | C(N[C@]1([C@](C2=CCCCC2)(CCCCC1)[H])[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860686 |