SpectraBase Spectrum ID |
6Ul45iF3Qj2 |
Name |
Glutaric acid, adamant-2-yl 2-ethylhexyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
378.277009700 u |
Formula |
C23H38O4 |
InChI |
InChI=1S/C23H38O4/c1-3-5-7-16(4-2)15-26-21(24)8-6-9-22(25)27-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-20,23H,3-15H2,1-2H3/t16?,17-,18+,19-,20+,23- |
InChIKey |
ANOLWCXOXXHRRZ-AKAFDQGDSA-N |
Molecular Weight |
378.553 g/mol |
SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O |