| SpectraBase Spectrum ID |
IyKn4j4gFiA |
| Name |
Succinic acid, di((adamant-1-yl)methyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.277009700 u |
| Formula |
C26H38O4 |
| InChI |
InChI=1S/C26H38O4/c27-23(29-15-25-9-17-3-18(10-25)5-19(4-17)11-25)1-2-24(28)30-16-26-12-20-6-21(13-26)8-22(7-20)14-26/h17-22H,1-16H2/t17-,18+,19-,20-,21+,22-,25-,26- |
| InChIKey |
SVGWPLSOBPOCPF-VFUCSZFOSA-N |
| Molecular Weight |
414.586 g/mol |
| SMILES |
C(CC(OCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)C(OCC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939087 |
