SpectraBase Spectrum ID |
77nW8qU2syl |
Name |
Cyclohexanol, 4-(3,4-dimethoxyphenyl)-4-[2-(ethylmethylamino)ethyl]-, cis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.230393859 u |
Formula |
C19H31NO3 |
InChI |
InChI=1S/C19H31NO3/c1-5-20(2)13-12-19(10-8-16(21)9-11-19)15-6-7-17(22-3)18(14-15)23-4/h6-7,14,16,21H,5,8-13H2,1-4H3 |
InChIKey |
CMDIRUJPAMCAIE-UHFFFAOYSA-N |
Molecular Weight |
321.461 g/mol |
SMILES |
C1(C=2C=C(OC)C(=CC2)OC)(CCN(CC)C)CCC(CC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940073 |