| SpectraBase Spectrum ID |
433RXOCiTq8 |
| Name |
9-(Bromomethyl)-10-(dichloromethyl)-2,3,6,7-tetraethoxy-9,10-dihydroanthracene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.062627810 u |
| Formula |
C24H29BrCl2O4 |
| InChI |
InChI=1S/C24H29BrCl2O4/c1-5-28-19-9-14-16(11-21(19)30-7-3)23(24(26)27)17-12-22(31-8-4)20(29-6-2)10-15(17)18(14)13-25/h9-12,18,23-24H,5-8,13H2,1-4H3/t18-,23- |
| InChIKey |
VAWJERAVVYJJFY-RXAXNXDRSA-N |
| Molecular Weight |
532.302 g/mol |
| SMILES |
C12=C([C@](CBr)(C=3C([C@]2(C(Cl)Cl)[H])=CC(=C(OCC)C3)OCC)[H])C=C(C(=C1)OCC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957022 |
