SpectraBase Spectrum ID |
BNzJi32NVo9 |
Name |
6-T-Butyl-4-methylphenol, 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 |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-14-7-8-16(15(13-14)17(2,3)4)19-12-6-5-9-18-10-11-18/h7-8,13H,5-6,9-12H2,1-4H3 |
InChIKey |
LVUZCXFXGMIWQT-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1N(CCCCOC2=CC=C(C=C2C(C)(C)C)C)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91976 |