| SpectraBase Spectrum ID |
8XQDx2LDLT0 |
| Name |
5-Ethoxy-2,2-dimethyl-2,3,3A,4,5,7A-hexahydro-(3A.alpha.,5-beta.,7A.alpha.)-benzofuran |
| 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/c1-4-13-10-5-6-11-9(7-10)8-12(2,3)14-11/h5-6,9-11H,4,7-8H2,1-3H3/t9-,10+,11-/m0/s1 |
| InChIKey |
NJKLGPBTKIZMJX-AXFHLTTASA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
[C@@]12(OC(C[C@@]2(C[C@@](C=C1)(OCC)[H])[H])(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919074 |
