| SpectraBase Spectrum ID |
9CioPL64Ztz |
| Name |
(.+/-.)-N-formyl-3,4-methylenedioxyamphetamine, N-(pentafluoropropionyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.068648681 u |
| Formula |
C14H12F5NO4 |
| InChI |
InChI=1S/C14H12F5NO4/c1-8(4-9-2-3-10-11(5-9)24-7-23-10)20(6-21)12(22)13(15,16)14(17,18)19/h2-3,5-6,8H,4,7H2,1H3 |
| InChIKey |
VBOXHMWVYIKRDW-UHFFFAOYSA-N |
| Molecular Weight |
353.245 g/mol |
| SMILES |
C1(=CC=C2C(=C1)OCO2)CC(C)N(C=O)C(C(F)(F)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883437 |
