| SpectraBase Spectrum ID |
AVGN3UuUt6x |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.201793899 u |
| Formula |
C20H29F3O4 |
| InChI |
InChI=1S/C20H29F3O4/c1-13(20(21,22)23)27-18(25)4-2-3-17(24)26-6-5-19-10-14-7-15(11-19)9-16(8-14)12-19/h13-16H,2-12H2,1H3/t13?,14-,15+,16-,19+ |
| InChIKey |
NDWCMKIKTVMUDZ-KPWVBEMOSA-N |
| Molecular Weight |
390.443 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
