| SpectraBase Spectrum ID |
A77qNTbJE44 |
| Name |
(1S*,2S*,3R*)-1,3-di(1,3-Dimethoxy-1,3-dioxopropan-2-yl)-6-chloro-2-(3-chlorophenyl)-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 |
536.100473189 u |
| Formula |
C26H26Cl2O8 |
| InChI |
InChI=1S/C26H26Cl2O8/c1-33-23(29)21(24(30)34-2)18-12-14-11-16(28)8-9-17(14)20(22(25(31)35-3)26(32)36-4)19(18)13-6-5-7-15(27)10-13/h5-11,18-22H,12H2,1-4H3/t18-,19+,20+/m1/s1 |
| InChIKey |
AOZDABXILWVYQE-AABGKKOBSA-N |
| Molecular Weight |
537.392 g/mol |
| SMILES |
C=1(C=C2C[C@]([C@@]([C@](C2=CC1)(C(C(=O)OC)C(OC)=O)[H])(C1=CC=CC(=C1)Cl)[H])(C(C(=O)OC)C(=O)OC)[H])Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958665 |
