| SpectraBase Spectrum ID |
77zUU8FfQTJ |
| Name |
4,9-Dimethoxy-4-methyl-2,3,4,5,6,7-hexahydrobenzo[B]oxonine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-15(17-3)8-4-5-12-11-13(16-2)6-7-14(12)18-10-9-15/h6-7,11H,4-5,8-10H2,1-3H3 |
| InChIKey |
SGBUHIRUFDNWJP-UHFFFAOYSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1=2OCCC(CCCC2C=C(C=C1)OC)(C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938834 |
![4,9-Dimethoxy-4-methyl-2,3,4,5,6,7-hexahydrobenzo[B]oxonine](/api/spectrum/77zUU8FfQTJ/structure.png?h=300&w=458 "4,9-Dimethoxy-4-methyl-2,3,4,5,6,7-hexahydrobenzo[B]oxonine")
