SpectraBase Spectrum ID |
DTCOIJeMGgG |
Name |
Succinic acid, 2-chloro-6-fluorophenyl tetrahydrofurfuryl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.067029473 u |
Formula |
C15H16ClFO5 |
InChI |
InChI=1S/C15H16ClFO5/c16-11-4-1-5-12(17)15(11)22-14(19)7-6-13(18)21-9-10-3-2-8-20-10/h1,4-5,10H,2-3,6-9H2 |
InChIKey |
XALIYFWWLKGVLV-UHFFFAOYSA-N |
Molecular Weight |
330.739 g/mol |
SMILES |
C(CC(OC1=C(C=CC=C1F)Cl)=O)C(OCC1OCCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923053 |