| SpectraBase Spectrum ID |
A16IY8iyZRd |
| Name |
4-Methyl-3,5-bis(3-trifluoromethyl)phenyl]pent-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.110534112 u |
| Formula |
C20H16F6O |
| InChI |
InChI=1S/C20H16F6O/c1-12(9-14-5-3-7-16(10-14)19(21,22)23)18(13(2)27)15-6-4-8-17(11-15)20(24,25)26/h3-8,10-11H,9H2,1-2H3/b18-12+ |
| InChIKey |
JSXMKQKPQGTFJV-LDADJPATSA-N |
| Molecular Weight |
386.337 g/mol |
| SMILES |
C=1(\C(=C\(CC=2C=C(C(F)(F)F)C=CC2)C)C(=O)C)C=C(C(F)(F)F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900452 |
![4-Methyl-3,5-bis(3-trifluoromethyl)phenyl]pent-3-en-2-one](/api/spectrum/A16IY8iyZRd/structure.png?h=300&w=458 "4-Methyl-3,5-bis(3-trifluoromethyl)phenyl]pent-3-en-2-one")
