| SpectraBase Spectrum ID |
3EoFiJrLyit |
| Name |
3-Methylfentanyl-m (alkyl-ho-) ac P1472 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.241292895 u |
| Formula |
C25H32N2O3 |
| InChI |
InChI=1S/C25H32N2O3/c1-19-18-26(16-14-22-10-6-4-7-11-22)17-15-24(19)27(23-12-8-5-9-13-23)25(29)20(2)30-21(3)28/h4-13,19-20,24H,14-18H2,1-3H3 |
| InChIKey |
KNDYYKIYIHJKQE-UHFFFAOYSA-N |
| Molecular Weight |
408.542 g/mol |
| SMILES |
CC(OC(C(N(C1CCN(CC1C)CCC1=CC=CC=C1)C=1C=CC=CC1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85522 |
