| SpectraBase Spectrum ID |
E7Y5S9QIppu |
| Name |
Methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-benzoxazine-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.092577801 u |
| Formula |
C18H14F3NO3 |
| InChI |
InChI=1S/C18H14F3NO3/c1-11-6-7-15-14(8-11)22(10-16(25-15)17(23)24-2)13-5-3-4-12(9-13)18(19,20)21/h3-10H,1-2H3 |
| InChIKey |
NBDQVNWEAOXYPC-UHFFFAOYSA-N |
| Molecular Weight |
349.309 g/mol |
| SMILES |
C1=C(C=CC2=C1N(C=C(O2)C(OC)=O)C1=CC(C(F)(F)F)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914261 |
![Methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-benzoxazine-2-carboxylate](/api/spectrum/E7Y5S9QIppu/structure.png?h=300&w=458 "Methyl 6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-benzoxazine-2-carboxylate")
