| SpectraBase Spectrum ID |
68LBtOWZ0r |
| Name |
Succinic acid, 2-fluorophenyl neryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.173687444 u |
| Formula |
C20H25FO4 |
| InChI |
InChI=1S/C20H25FO4/c1-15(2)7-6-8-16(3)13-14-24-19(22)11-12-20(23)25-18-10-5-4-9-17(18)21/h4-5,7,9-10,13H,6,8,11-12,14H2,1-3H3/b16-13- |
| InChIKey |
KUJOBMVTXPEIAA-SSZFMOIBSA-N |
| Molecular Weight |
348.414 g/mol |
| SMILES |
C(CC(OC1=CC=CC=C1F)=O)C(OC\C=C/(CCC=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867601 |
