| SpectraBase Spectrum ID |
6OGMSMmfewW |
| Name |
L-Tyrosine, N,o-bis(3-trifluoromethylbenzoyl)-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.116741689 u |
| Formula |
C26H19F6NO5 |
| InChI |
InChI=1S/C26H19F6NO5/c1-37-24(36)21(33-22(34)16-4-2-6-18(13-16)25(27,28)29)12-15-8-10-20(11-9-15)38-23(35)17-5-3-7-19(14-17)26(30,31)32/h2-11,13-14,21H,12H2,1H3,(H,33,34) |
| InChIKey |
ZYUOSULCYXWEKZ-UHFFFAOYSA-N |
| Molecular Weight |
539.430 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC1=CC=C(C=C1)CC(C(OC)=O)NC(=O)C1=CC(C(F)(F)F)=CC=C1)=O)C(F)(F)F |
