| SpectraBase Spectrum ID |
FsjYSHImCjp |
| Name |
Mdea-m (demethylenyl-methyl-) tfa @P936 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.123877930 u |
| Formula |
C14H18F3NO3 |
| InChI |
InChI=1S/C14H18F3NO3/c1-4-18(13(20)14(15,16)17)9(2)7-10-5-6-11(19)12(8-10)21-3/h5-6,8-9,19H,4,7H2,1-3H3 |
| InChIKey |
LFJYWLHJWMGPOL-UHFFFAOYSA-N |
| Molecular Weight |
305.297 g/mol |
| SMILES |
C1=CC(=CC(=C1O)OC)CC(C)N(CC)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854665 |
