| SpectraBase Spectrum ID |
4BkDcSHPqby |
| Name |
(2S,3R,4R)-4-Ethyl-2-methyl-5-oxotetrahydrofuran-3-yl butyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-4-6-9(12)15-10-7(3)14-11(13)8(10)5-2/h7-8,10H,4-6H2,1-3H3/t7-,8+,10-/m0/s1 |
| InChIKey |
DEPBFKXQPZNVFK-XKSSXDPKSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C1(O[C@]([C@@]([C@]1(CC)[H])(OC(CCC)=O)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842609 |
