| SpectraBase Spectrum ID |
uarnzo8r8N |
| Name |
Mcpp-m tfa @P785 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.006655275 u |
| Formula |
C10H7ClF3NO3 |
| InChI |
InChI=1S/C10H7ClF3NO3/c1-5(16)15-6-2-3-8(7(11)4-6)18-9(17)10(12,13)14/h2-4H,1H3,(H,15,16) |
| InChIKey |
WCXFXXRMBZSZFB-UHFFFAOYSA-N |
| Molecular Weight |
281.618 g/mol |
| SMILES |
C=1C=C(C=C(C1OC(C(F)(F)F)=O)Cl)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85724 |
