SpectraBase Spectrum ID |
3CFHtz9BlVc |
Name |
Acetyl syringic pentafluoropropionic anhydride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.042493502 u |
Formula |
C14H11F5O7 |
InChI |
InChI=1S/C14H11F5O7/c1-6(20)25-10-8(23-2)4-7(5-9(10)24-3)11(21)26-12(22)13(15,16)14(17,18)19/h4-5H,1-3H3 |
InChIKey |
SNSCDIDRVYBMEO-UHFFFAOYSA-N |
Molecular Weight |
386.227 g/mol |
SMILES |
C1(=C(C(=CC(=C1)C(OC(C(C(F)(F)F)(F)F)=O)=O)OC)OC(C)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881833 |