| SpectraBase Spectrum ID |
KljnE5ddihw |
| Name |
Adipic acid, 2-adamantyl propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-2-7-22-17(20)5-3-4-6-18(21)23-19-15-9-13-8-14(11-15)12-16(19)10-13/h13-16,19H,2-12H2,1H3/t13-,14+,15-,16+,19? |
| InChIKey |
DZWKFNWTJFFYIP-HSQUSHGYSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
C(C(=O)OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])CCCC(OCCC)=O |
