| SpectraBase Spectrum ID |
B5LBrq6qYea |
| Name |
(2.alpha.,3.beta.,3A.alpha.,7A.beta.)-2-Butyl-3-formyloxyoctahydrobenzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-2-3-7-12-13(15-9-14)10-6-4-5-8-11(10)16-12/h9-13H,2-8H2,1H3/t10-,11-,12+,13-/m0/s1 |
| InChIKey |
JUVLEMFSJHAKFR-RVMXOQNASA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
[C@@]12(O[C@@]([C@]([C@]2(CCCC1)[H])(OC=O)[H])(CCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819178 |
