![1-Acetyl-N-cyclohexyl-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine-2-carboxamide](/api/spectrum/8OgQYY8dDQg/structure.png?h=300&w=458 "1-Acetyl-N-cyclohexyl-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine-2-carboxamide")
| SpectraBase Compound ID | I7CBGvkCipv |
|---|---|
| InChI | InChI=1S/C24H27N3O2/c1-17(28)27-21-15-9-8-14-20(21)23(18-10-4-2-5-11-18)25-16-22(27)24(29)26-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,22H,3,6-7,12-13,16H2,1H3,(H,26,29) |
| InChIKey | JDPTZWPFRGXQSX-UHFFFAOYSA-N |
| Mol Weight | 389.5 g/mol |
| Molecular Formula | C24H27N3O2 |
| Exact Mass | 389.210327 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OgQYY8dDQg |
|---|---|
| Name | 1-Acetyl-N-cyclohexyl-5-phenyl-2,3-dihydro-1H-benzo[E][1,4]diazepine-2-carboxamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.210327119 u |
| Formula | C24H27N3O2 |
| InChI | InChI=1S/C24H27N3O2/c1-17(28)27-21-15-9-8-14-20(21)23(18-10-4-2-5-11-18)25-16-22(27)24(29)26-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19,22H,3,6-7,12-13,16H2,1H3,(H,26,29) |
| InChIKey | JDPTZWPFRGXQSX-UHFFFAOYSA-N |
| Molecular Weight | 389.499 g/mol |
| SMILES | C1N=C(C2=C(N(C1C(=O)NC1CCCCC1)C(=O)C)C=CC=C2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912802 |