| SpectraBase Spectrum ID |
GuMMivPgL1u |
| Name |
2-Nitro-alpha,alpha,alpha-trifluoro-p-tolyl 2,6-xylyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.076927736 u |
| Formula |
C15H12F3NO3 |
| InChI |
InChI=1S/C15H12F3NO3/c1-9-4-3-5-10(2)14(9)22-13-7-6-11(15(16,17)18)8-12(13)19(20)21/h3-8H,1-2H3 |
| InChIKey |
ZMHHOFDDRUSSSG-UHFFFAOYSA-N |
| Molecular Weight |
311.260 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C=CC1OC=1C(=CC=CC1C)C)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.73642 |
