![N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclopentanecarboxamide](/api/spectrum/5Q8fDhpyIPI/structure.png?h=300&w=458 "N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclopentanecarboxamide")
| SpectraBase Compound ID | 95ef2Rl1W2x |
|---|---|
| InChI | InChI=1S/C20H28N2O2/c1-15-8-2-3-11-17(15)14-22-13-7-6-12-18(20(22)24)21-19(23)16-9-4-5-10-16/h2-3,8,11,16,18H,4-7,9-10,12-14H2,1H3,(H,21,23) |
| InChIKey | CFBWYQFOSKGAGG-UHFFFAOYSA-N |
| Mol Weight | 328.46 g/mol |
| Molecular Formula | C20H28N2O2 |
| Exact Mass | 328.215078 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Q8fDhpyIPI |
|---|---|
| Name | N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclopentanecarboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.215078148 u |
| Formula | C20H28N2O2 |
| InChI | InChI=1S/C20H28N2O2/c1-15-8-2-3-11-17(15)14-22-13-7-6-12-18(20(22)24)21-19(23)16-9-4-5-10-16/h2-3,8,11,16,18H,4-7,9-10,12-14H2,1H3,(H,21,23) |
| InChIKey | CFBWYQFOSKGAGG-UHFFFAOYSA-N |
| Molecular Weight | 328.456 g/mol |
| SMILES | C1(CCCC1)C(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855473 |