| SpectraBase Spectrum ID |
Iq87BInzKRL |
| Name |
(3ar*,5S*,7ar*)-5-(T-Butyl)hexahydrobenzofuran-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-12(2,3)9-4-5-10-8(6-9)7-11(13)14-10/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m0/s1 |
| InChIKey |
WXEMDVAITHCACX-AEJSXWLSSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C1(O[C@@]2([C@](C1)(C[C@@](CC2)(C(C)(C)C)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987947 |
