| SpectraBase Spectrum ID |
3UqFM9G7kkK |
| Name |
7-Methoxy-9B-methyl-3-(2-methyl-[1,3]dioxolan-2-yl)-1,2,3,4,5,9B-hexahydrocyclopenta[A]naphthalene-3A-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.183443666 u |
| Formula |
C20H25NO3 |
| InChI |
InChI=1S/C20H25NO3/c1-18-8-7-17(19(2)23-10-11-24-19)20(18,13-21)9-6-14-12-15(22-3)4-5-16(14)18/h4-5,12,17H,6-11H2,1-3H3 |
| InChIKey |
YZGHHTARLVZMKA-UHFFFAOYSA-N |
| Molecular Weight |
327.424 g/mol |
| SMILES |
C1(OC)=CC=C2C3(C)CCC(C3(C#N)CCC2=C1)C1(C)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904448 |
![7-Methoxy-9b-methyl-3-(2-methyl-[1,3]dioxolan-2-yl)-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene-3a-carbonitrile](/api/spectrum/3UqFM9G7kkK/structure.png?h=300&w=458 "7-Methoxy-9b-methyl-3-(2-methyl-[1,3]dioxolan-2-yl)-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalene-3a-carbonitrile")
