| SpectraBase Spectrum ID |
HJhduUkkKfm |
| Name |
(S)-Methyl 3-(4-fluorophenyl)pent-4-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.089957820 u |
| Formula |
C12H13FO2 |
| InChI |
InChI=1S/C12H13FO2/c1-3-9(8-12(14)15-2)10-4-6-11(13)7-5-10/h3-7,9H,1,8H2,2H3/t9-/m1/s1 |
| InChIKey |
OICSOHUCUQCOJB-SECBINFHSA-N |
| Molecular Weight |
208.232 g/mol |
| SMILES |
C1(=CC=C(C=C1)F)[C@@](CC(=O)OC)(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911166 |
