| SpectraBase Spectrum ID |
BM42dCJ35nV |
| Name |
Bicyclo[4.2.0]octan-2-one, 6-(3,3-dimethyl-1-butynyl)-7,7-dimethoxy-4,4,8,8-tetramethyl-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.235144887 u |
| Formula |
C20H32O3 |
| InChI |
InChI=1S/C20H32O3/c1-16(2,3)10-11-19-13-17(4,5)12-14(21)15(19)18(6,7)20(19,22-8)23-9/h15H,12-13H2,1-9H3/t15-,19-/m1/s1 |
| InChIKey |
WGWYXIBSSVHBAW-DNVCBOLYSA-N |
| Molecular Weight |
320.473 g/mol |
| SMILES |
[C@]12(C(OC)(OC)C([C@]2(C(=O)CC(C1)(C)C)[H])(C)C)C#CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821689 |
![Bicyclo[4.2.0]octan-2-one, 6-(3,3-dimethyl-1-butynyl)-7,7-dimethoxy-4,4,8,8-tetramethyl-, cis-](/api/spectrum/BM42dCJ35nV/structure.png?h=300&w=458 "Bicyclo[4.2.0]octan-2-one, 6-(3,3-dimethyl-1-butynyl)-7,7-dimethoxy-4,4,8,8-tetramethyl-, cis-")
