| SpectraBase Spectrum ID |
Ltks2KpwExd |
| Name |
Adipic acid, 2-(1-adamantyl)ethyl heptyl 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/c1-2-3-4-5-8-12-28-23(26)9-6-7-10-24(27)29-13-11-25-17-20-14-21(18-25)16-22(15-20)19-25/h20-22H,2-19H2,1H3/t20-,21+,22-,25+ |
| InChIKey |
QCABTLSGAABFIK-KJXIAPOESA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C(CCCC(=O)OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OCCCCCCC)=O |
