| SpectraBase Spectrum ID |
LFPxLqBV7kj |
| Name |
cis-1,4-Cyclohexanediol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.035553080 u |
| Formula |
C14H10F14O4 |
| InChI |
InChI=1S/C14H10F14O4/c15-9(16,11(19,20)13(23,24)25)7(29)31-5-1-2-6(4-3-5)32-8(30)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2 |
| InChIKey |
HZWYOAHDSSVUKE-UHFFFAOYSA-N |
| Molecular Weight |
508.208 g/mol |
| SMILES |
C1(CCC(CC1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922505 |
