SpectraBase Spectrum ID |
6gGYNaoniNa |
Name |
N-Acetyl-1-(2,3-dimethoxy-6-N-methylbenzenyl)cyclohexanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.194008349 u |
Formula |
C18H27NO4 |
InChI |
InChI=1S/C18H27NO4/c1-13(20)19(2)12-14-8-9-15(22-3)17(23-4)16(14)18(21)10-6-5-7-11-18/h8-9,21H,5-7,10-12H2,1-4H3 |
InChIKey |
NFHVLKMLLFEIPA-UHFFFAOYSA-N |
Molecular Weight |
321.417 g/mol |
SMILES |
C1(CCCCC1)(C1=C(C=CC(=C1OC)OC)CN(C)C(C)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806067 |