| SpectraBase Spectrum ID |
6D8JB8ShSQv |
| Name |
1,3,5-Tris(5'-methoxycarbonylspiro[2.5]oct-7'-en-8'-yl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.298139066 u |
| Formula |
C36H42O6 |
| InChI |
InChI=1S/C36H42O6/c1-40-31(37)22-4-7-28(34(19-22)10-11-34)25-16-26(29-8-5-23(32(38)41-2)20-35(29)12-13-35)18-27(17-25)30-9-6-24(33(39)42-3)21-36(30)14-15-36/h7-9,16-18,22-24H,4-6,10-15,19-21H2,1-3H3 |
| InChIKey |
TUUGOVFVJLHXMD-UHFFFAOYSA-N |
| Molecular Weight |
570.726 g/mol |
| SMILES |
C12(C(C3=CC(C=4C5(CC5)CC(C(=O)OC)CC4)=CC(C=4C5(CC5)CC(C(=O)OC)CC4)=C3)=CCC(C(=O)OC)C1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945689 |
![1,3,5-Tris(5'-methoxycarbonylspiro[2.5]oct-7'-en-8'-yl)benzene](/api/spectrum/6D8JB8ShSQv/structure.png?h=300&w=458 "1,3,5-Tris(5'-methoxycarbonylspiro[2.5]oct-7'-en-8'-yl)benzene")
