| SpectraBase Spectrum ID |
4oCov1eBGpk |
| Name |
1-Isopropyl-6,7-dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.172878983 u |
| Formula |
C16H23NO2 |
| InChI |
InChI=1S/C16H23NO2/c1-10(2)15-12-8-14(19-6)13(18-5)7-11(12)9-16(3,4)17-15/h7-8,10H,9H2,1-6H3 |
| InChIKey |
RETZWKAIXPOBFZ-UHFFFAOYSA-N |
| Molecular Weight |
261.365 g/mol |
| SMILES |
C1(=NC(C)(C)CC2=C1C=C(C(OC)=C2)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953847 |
