| SpectraBase Spectrum ID |
6JRZCdB1B51 |
| Name |
4,6-Dimethyl-3-(4-hydroxyphenyl)coumarin, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.047042921 u |
| Formula |
C19H13ClF2O4 |
| InChI |
InChI=1S/C19H13ClF2O4/c1-10-3-8-15-14(9-10)11(2)16(17(23)26-15)12-4-6-13(7-5-12)25-18(24)19(20,21)22/h3-9H,1-2H3 |
| InChIKey |
ZXPGJBOZHDFAQU-UHFFFAOYSA-N |
| Molecular Weight |
378.759 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)Cl)=O)C1=C(C)C2=CC(=CC=C2OC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953331 |
