SpectraBase Spectrum ID |
DZvER2yVWN |
Name |
o-(Dodecyloxy)aniline, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
313.217242353 u |
Formula |
C18H32ClNO |
InChI |
InChI=1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-20-18-15-12-11-14-17(18)19;/h11-12,14-15H,2-10,13,16,19H2,1H3;1H |
InChIKey |
ZKFOMRCHWYFHDZ-UHFFFAOYSA-N |
Molecular Weight |
313.913 g/mol |
SMILES |
Cl.NC1=C(C=CC=C1)OCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Raman) |
0.970481 |