| SpectraBase Spectrum ID |
CuhLw3QMjOm |
| Name |
Sebacic acid, 1-(4-fluorophenyl)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.220637637 u |
| Formula |
C21H31FO4 |
| InChI |
InChI=1S/C21H31FO4/c1-3-16-25-20(23)10-8-6-4-5-7-9-11-21(24)26-17(2)18-12-14-19(22)15-13-18/h12-15,17H,3-11,16H2,1-2H3 |
| InChIKey |
HOZSYUPFKGIXCM-UHFFFAOYSA-N |
| Molecular Weight |
366.473 g/mol |
| SMILES |
C(CCCCCCC(OCCC)=O)CC(OC(C=1C=CC(=CC1)F)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82161 |
