| SpectraBase Spectrum ID |
7H7FUEPBnJr |
| Name |
2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.188863400 u |
| Formula |
C16H24N2O |
| InChI |
InChI=1S/C16H24N2O/c19-16-10-5-2-6-12-18(16)13-7-11-17-14-15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2 |
| InChIKey |
UQLKFBZWJWPDIU-UHFFFAOYSA-N |
| Molecular Weight |
260.381 g/mol |
| SMILES |
C1(N(CCCCC1)CCCNCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957822 |
![2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]-](/api/spectrum/7H7FUEPBnJr/structure.png?h=300&w=458 "2H-Azepin-2-one, hexahydro-1-[3-[(phenylmethyl)amino]propyl]-")
