| SpectraBase Spectrum ID |
DeOuXLyDkwl |
| Name |
(1S*,2S*,3R*)-1,3-di(1,3-Dimethoxy-1,3-dioxopropan-2-yl)-2-(4-bromophenyl)-1,2,3,4-tetrahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.088930821 u |
| Formula |
C26H27BrO8 |
| InChI |
InChI=1S/C26H27BrO8/c1-32-23(28)21(24(29)33-2)18-13-15-7-5-6-8-17(15)20(22(25(30)34-3)26(31)35-4)19(18)14-9-11-16(27)12-10-14/h5-12,18-22H,13H2,1-4H3/t18-,19+,20+/m1/s1 |
| InChIKey |
NLIJSCGBIDWHDL-AABGKKOBSA-N |
| Molecular Weight |
547.398 g/mol |
| SMILES |
C=1([C@@]2([C@@](C(C(=O)OC)C(OC)=O)(C3=CC=CC=C3C[C@]2(C(C(=O)OC)C(OC)=O)[H])[H])[H])C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928779 |
