| SpectraBase Spectrum ID |
LQRDrz9Ngiz |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl 2-ethylhexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.308309828 u |
| Formula |
C25H42O4 |
| InChI |
InChI=1S/C25H42O4/c1-3-5-7-19(4-2)18-29-24(27)9-6-8-23(26)28-11-10-25-15-20-12-21(16-25)14-22(13-20)17-25/h19-22H,3-18H2,1-2H3/t19?,20-,21+,22-,25+ |
| InChIKey |
IBPPMQXLKKRRQR-QAYGIWLNSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
