| SpectraBase Spectrum ID |
8CDHhyhIB72 |
| Name |
1,4-bis(4'S,5'R-Dimethoxycarbonylspiro[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 |
522.225368047 u |
| Formula |
C30H34O8 |
| InChI |
InChI=1S/C30H34O8/c1-35-25(31)19-9-11-21(29(13-14-29)23(19)27(33)37-3)17-5-7-18(8-6-17)22-12-10-20(26(32)36-2)24(28(34)38-4)30(22)15-16-30/h5-8,11-12,19-20,23-24H,9-10,13-16H2,1-4H3/t19-,20+,23-,24+ |
| InChIKey |
KBYWDDQRRPTPQN-GKIBHXGMSA-N |
| Molecular Weight |
522.594 g/mol |
| SMILES |
C12(C(=CC[C@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])C=2C=CC(C=3C4([C@](C(=O)OC)([C@](CC3)(C(=O)OC)[H])[H])CC4)=CC2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945072 |
![1,4-Bis(4'S,5'R-dimethoxycarbonylspiro[2.5]oct-7'-en-8'-yl)benzene](/api/spectrum/8CDHhyhIB72/structure.png?h=300&w=458 "1,4-Bis(4'S,5'R-dimethoxycarbonylspiro[2.5]oct-7'-en-8'-yl)benzene")
