| SpectraBase Spectrum ID |
Ljy00zn7yjY |
| Name |
Glutaric acid, adamant-2-yl 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 |
362.170493770 u |
| Formula |
C18H25F3O4 |
| InChI |
InChI=1S/C18H25F3O4/c1-10(18(19,20)21)24-15(22)3-2-4-16(23)25-17-13-6-11-5-12(8-13)9-14(17)7-11/h10-14,17H,2-9H2,1H3/t10?,11-,12+,13-,14+,17? |
| InChIKey |
NIBDUPSXRREGPZ-NZTROASLSA-N |
| Molecular Weight |
362.389 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O |
