| SpectraBase Spectrum ID |
FDIQwjlolxQ |
| Name |
Succinic acid, (adamant-1-yl)methyl dec-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.308309828 u |
| Formula |
C25H42O4 |
| InChI |
InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-19(2)29-24(27)11-10-23(26)28-18-25-15-20-12-21(16-25)14-22(13-20)17-25/h19-22H,3-18H2,1-2H3/t19?,20-,21+,22-,25- |
| InChIKey |
BMHXZSILSKECKX-KTQZHFBCSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OCC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945218 |
