SpectraBase Spectrum ID |
KMgF0n4coIN |
Name |
Benzenol, 4-ethyl-2-methoxy-o-[4-[1-cycloazapropyl]-N-butyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.172878983 u |
Formula |
C15H23NO2 |
InChI |
InChI=1S/C15H23NO2/c1-3-13-6-7-14(15(12-13)17-2)18-11-5-4-8-16-9-10-16/h6-7,12H,3-5,8-11H2,1-2H3 |
InChIKey |
APLFRFLEHMZSKD-UHFFFAOYSA-N |
Molecular Weight |
249.354 g/mol |
SMILES |
C1N(CCCCOC2=C(C=C(C=C2)CC)OC)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960108 |