| SpectraBase Spectrum ID |
9sXLVFiSKT7 |
| Name |
4-Bromo-2,3,2'-trihydroxy-1,1'-binaphthyl triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.036501326 u |
| Formula |
C26H19BrO6 |
| InChI |
InChI=1S/C26H19BrO6/c1-14(28)31-21-13-12-17-8-4-5-9-18(17)22(21)23-19-10-6-7-11-20(19)24(27)26(33-16(3)30)25(23)32-15(2)29/h4-13H,1-3H3 |
| InChIKey |
UIHIATJISQVPIG-UHFFFAOYSA-N |
| Molecular Weight |
507.336 g/mol |
| SMILES |
C1(=C(C(C=2C(OC(=O)C)=CC=C3C2C=CC=C3)=C2C(=C1Br)C=CC=C2)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884186 |
