| SpectraBase Spectrum ID |
GyXWTDIoQqe |
| Name |
Hexan-1-one, 2-ethyl-1-[4-(2-ethylhexanoyl)-[1,4]diazepan-1-yl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.308978534 u |
| Formula |
C21H40N2O2 |
| InChI |
InChI=1S/C21H40N2O2/c1-5-9-12-18(7-3)20(24)22-14-11-15-23(17-16-22)21(25)19(8-4)13-10-6-2/h18-19H,5-17H2,1-4H3 |
| InChIKey |
YMTQJGFDZHPMMQ-UHFFFAOYSA-N |
| Molecular Weight |
352.563 g/mol |
| SMILES |
C1N(CCCN(C1)C(C(CCCC)CC)=O)C(C(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911055 |
![Hexan-1-one, 2-ethyl-1-[4-(2-ethylhexanoyl)-[1,4]diazepan-1-yl]-](/api/spectrum/GyXWTDIoQqe/structure.png?h=300&w=458 "Hexan-1-one, 2-ethyl-1-[4-(2-ethylhexanoyl)-[1,4]diazepan-1-yl]-")
