| SpectraBase Spectrum ID |
C7Vf28xTgcU |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl 2,2,3,3-tetrafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.192372030 u |
| Formula |
C20H28F4O4 |
| InChI |
InChI=1S/C20H28F4O4/c21-18(22)20(23,24)12-28-17(26)3-1-2-16(25)27-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15,18H,1-12H2/t13-,14+,15-,19+ |
| InChIKey |
UAZBIVUSIGHUFA-IZUZZMAOSA-N |
| Molecular Weight |
408.434 g/mol |
| SMILES |
C(CCC(OCC(C(F)F)(F)F)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934992 |
