| SpectraBase Spectrum ID |
8ek7qJ4OT2b |
| Name |
2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.100522503 u |
| Formula |
C16H15FO3 |
| InChI |
InChI=1S/C16H15FO3/c1-11(12-7-3-5-9-14(12)17)20-16(18)13-8-4-6-10-15(13)19-2/h3-11H,1-2H3 |
| InChIKey |
VSAHPJFCCZRPMM-UHFFFAOYSA-N |
| Molecular Weight |
274.291 g/mol |
| SMILES |
C1(=CC=CC=C1C(=O)OC(C=1C(=CC=CC1)F)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919747 |
