| SpectraBase Spectrum ID |
47tJiLho77w |
| Name |
9H-Xanthene-2-carboxylic acid, 4,7-dichloro-1,3-dihydroxy-8-methyl-9-oxo-6-(phenylmethoxy)-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.058608377 u |
| Formula |
C29H20Cl2O7 |
| InChI |
InChI=1S/C29H20Cl2O7/c1-15-20-18(12-19(23(15)30)36-13-16-8-4-2-5-9-16)38-28-21(25(20)32)26(33)22(27(34)24(28)31)29(35)37-14-17-10-6-3-7-11-17/h2-12,33-34H,13-14H2,1H3 |
| InChIKey |
MVASRDSIXSSHTH-UHFFFAOYSA-N |
| Molecular Weight |
551.378 g/mol |
| SMILES |
C12=C(OC3=C(C2=O)C(=C(C(OCC=2C=CC=CC2)=C3)Cl)C)C(Cl)=C(C(=C1O)C(OCC=1C=CC=CC1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862851 |
