| SpectraBase Spectrum ID |
IypNI6r8csU |
| Name |
Hexanoyl fentanyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.267113722 u |
| Formula |
C25H34N2O |
| InChI |
InChI=1S/C25H34N2O/c1-2-3-6-15-25(28)27(23-13-9-5-10-14-23)24-17-20-26(21-18-24)19-16-22-11-7-4-8-12-22/h4-5,7-14,24H,2-3,6,15-21H2,1H3 |
| InChIKey |
PWKBFVCAQVONRR-UHFFFAOYSA-N |
| Molecular Weight |
378.560 g/mol |
| SMILES |
C1N(CCC(C1)N(C(CCCCC)=O)C=1C=CC=CC1)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960021 |
