| SpectraBase Spectrum ID |
1wIHKl8RMV2 |
| Name |
7-Chloranyl-2-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-oxidanyl-naphthalen-2-yl]-3-(hydroxymethyl)-5,8-dimethoxy-naphthalen-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.084823125 u |
| Formula |
C26H24Cl2O8 |
| InChI |
InChI=1S/C26H24Cl2O8/c1-33-17-7-15(27)25(35-3)21-13(17)5-11(9-29)19(23(21)31)20-12(10-30)6-14-18(34-2)8-16(28)26(36-4)22(14)24(20)32/h5-8,29-32H,9-10H2,1-4H3 |
| InChIKey |
IALCMJZNNLVAOT-UHFFFAOYSA-N |
| Molecular Weight |
535.376 g/mol |
| SMILES |
C12=C(C(C3=C(C=4C(=C(Cl)C=C(C4C=C3CO)OC)OC)O)=C(C=C2C(OC)=CC(=C1OC)Cl)CO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890037 |
![7-Chloranyl-2-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-oxidanyl-naphthalen-2-yl]-3-(hydroxymethyl)-5,8-dimethoxy-naphthalen-1-ol](/api/spectrum/1wIHKl8RMV2/structure.png?h=300&w=458 "7-Chloranyl-2-[7-chloranyl-3-(hydroxymethyl)-5,8-dimethoxy-1-oxidanyl-naphthalen-2-yl]-3-(hydroxymethyl)-5,8-dimethoxy-naphthalen-1-ol")
