| SpectraBase Spectrum ID |
Ch3LjkaAHK6 |
| Name |
2R,3S-3,4-Epoxy-1,1,1-trifluoro-4-isopentyl-7-methyl-2-octanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.180664532 u |
| Formula |
C14H25F3O2 |
| InChI |
InChI=1S/C14H25F3O2/c1-9(2)5-7-13(8-6-10(3)4)12(19-13)11(18)14(15,16)17/h9-12,18H,5-8H2,1-4H3/t11-,12+/m1/s1 |
| InChIKey |
VXTJHEYEKIBQQC-NEPJUHHUSA-N |
| Molecular Weight |
282.347 g/mol |
| SMILES |
[C@@]1(OC1(CCC(C)C)CCC(C)C)([C@](C(F)(F)F)(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850585 |
