| SpectraBase Spectrum ID |
CY9FaCW5XBN |
| Name |
2-Nitro-alpha,alpha,alpha-trifluoro-p-tolyl o-tolyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.061277672 u |
| Formula |
C14H10F3NO3 |
| InChI |
InChI=1S/C14H10F3NO3/c1-9-4-2-3-5-12(9)21-13-7-6-10(14(15,16)17)8-11(13)18(19)20/h2-8H,1H3 |
| InChIKey |
ZHZWURKSBGZLCJ-UHFFFAOYSA-N |
| Molecular Weight |
297.233 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C(=CC1)OC=1C=CC=CC1C)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.856145 |
