| SpectraBase Spectrum ID |
DaJi3v47qLj |
| Name |
(R)-.alpha.-Hydroxy-.alpha.-(4-[2-fluoroethyl]phenylbenzeneacetic acid |
| 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/c17-11-10-12-6-8-14(9-7-12)16(20,15(18)19)13-4-2-1-3-5-13/h1-9,20H,10-11H2,(H,18,19)/t16-/m1/s1 |
| InChIKey |
SAGVCPVZQYOLJV-MRXNPFEDSA-N |
| Molecular Weight |
274.291 g/mol |
| SMILES |
[C@](C(=O)O)(C1=CC=C(C=C1)CCF)(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947982 |
![(R)-.alpha.-Hydroxy-.alpha.-(4-[2-fluoroethyl]phenylbenzeneacetic acid](/api/spectrum/DaJi3v47qLj/structure.png?h=300&w=458 "(R)-.alpha.-Hydroxy-.alpha.-(4-[2-fluoroethyl]phenylbenzeneacetic acid")
