| SpectraBase Spectrum ID |
6udn79Yv5ea |
| Name |
Diflusinal, o-ethoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.080929872 u |
| Formula |
C17H14F2O5 |
| InChI |
InChI=1S/C17H14F2O5/c1-3-23-17(21)24-15-7-4-10(8-13(15)16(20)22-2)12-6-5-11(18)9-14(12)19/h4-9H,3H2,1-2H3 |
| InChIKey |
NOKQSPRYXPMQDP-UHFFFAOYSA-N |
| Molecular Weight |
336.291 g/mol |
| SMILES |
C1(=CC=C(C(=C1)C(=O)OC)OC(OCC)=O)C=1C(=CC(=CC1)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80593 |
