| SpectraBase Spectrum ID |
Akz0LPYRvw3 |
| Name |
3-Benzamidocoumarin, N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.056192291 u |
| Formula |
C18H10F3NO4 |
| InChI |
InChI=1S/C18H10F3NO4/c19-18(20,21)17(25)22(15(23)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)26-16(13)24/h1-10H |
| InChIKey |
QZOJQPDVCPLGPC-UHFFFAOYSA-N |
| Molecular Weight |
361.276 g/mol |
| SMILES |
C1(=CC=CC=C1)C(=O)N(C=1C(OC=2C(C1)=CC=CC2)=O)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87675 |
