| SpectraBase Spectrum ID |
CzR8VcPYEu1 |
| Name |
(2S,3R,4R)-2-Methyl-4-((rs)-4-methylhexyl)-5-oxotetrahydrofuran-3-yl isobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-6-11(4)8-7-9-13-14(12(5)19-16(13)18)20-15(17)10(2)3/h10-14H,6-9H2,1-5H3/t11?,12-,13+,14-/m0/s1 |
| InChIKey |
PVFLADRDEAFJPS-GSPSYOTPSA-N |
| SMILES |
C1(O[C@]([C@@]([C@]1(CCCC(CC)C)[H])(OC(C(C)C)=O)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965576 |
