| SpectraBase Spectrum ID |
JuKzw6DW63U |
| Name |
Isophthalic acid, monoamide, N-(2-fluorophenyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.111421539 u |
| Formula |
C17H16FNO3 |
| InChI |
InChI=1S/C17H16FNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20) |
| InChIKey |
UBGQAJWLFAPTCI-UHFFFAOYSA-N |
| Molecular Weight |
301.317 g/mol |
| SMILES |
C1=CC(=C(C=C1)NC(C1=CC(=CC=C1)C(OCCC)=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947628 |
