| SpectraBase Spectrum ID |
KjaHuEYkoRn |
| Name |
3-Methoxybenzoic acid, 2,6-difluoro-.alpha.-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.091100634 u |
| Formula |
C16H14F2O3 |
| InChI |
InChI=1S/C16H14F2O3/c1-10(15-13(17)7-4-8-14(15)18)21-16(19)11-5-3-6-12(9-11)20-2/h3-10H,1-2H3 |
| InChIKey |
MAADJJDLWBXDPF-UHFFFAOYSA-N |
| Molecular Weight |
292.282 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)OC(C=1C(=CC=CC1F)F)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925491 |
