SpectraBase Spectrum ID |
9AJMBCtwzOI |
Name |
6-(N-Benzylamino)-11-hydroxydodecanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
307.251129305 u |
Formula |
C19H33NO2 |
InChI |
InChI=1S/C19H33NO2/c1-17(22)10-7-8-14-19(13-6-3-9-15-21)20-16-18-11-4-2-5-12-18/h2,4-5,11-12,17,19-22H,3,6-10,13-16H2,1H3 |
InChIKey |
FTOQQYZQZJBUPE-UHFFFAOYSA-N |
Molecular Weight |
307.478 g/mol |
SMILES |
C(NC(CCCCCO)CCCCC(O)C)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877349 |