| SpectraBase Spectrum ID |
IIigrrEC5Iu |
| Name |
Isofentanyl-m (alkyl-ho-) ac P1422 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.225642831 u |
| Formula |
C24H30N2O3 |
| InChI |
InChI=1S/C24H30N2O3/c1-18-16-25(17-21-10-6-4-7-11-21)15-14-23(18)26(22-12-8-5-9-13-22)24(28)19(2)29-20(3)27/h4-13,18-19,23H,14-17H2,1-3H3 |
| InChIKey |
LJZJJYGUKOCIGU-UHFFFAOYSA-N |
| Molecular Weight |
394.515 g/mol |
| SMILES |
CC(OC(C(N(C1CCN(CC1C)CC=1C=CC=CC1)C=1C=CC=CC1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884875 |
