| SpectraBase Spectrum ID |
8Z8ppXgfBiL |
| Name |
9H-Xanthen-9-one, 1,8-bis(acetyloxy)-2-chloro-5-methoxy-6-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.050630516 u |
| Formula |
C19H15ClO7 |
| InChI |
InChI=1S/C19H15ClO7/c1-8-7-13(25-9(2)21)15-16(23)14-12(27-19(15)17(8)24-4)6-5-11(20)18(14)26-10(3)22/h5-7H,1-4H3 |
| InChIKey |
KTSCCCXIRBARKW-UHFFFAOYSA-N |
| Molecular Weight |
390.775 g/mol |
| SMILES |
C1=2C(C=3C(OC(=O)C)=C(Cl)C=CC3OC2C(OC)=C(C=C1OC(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881993 |
