SpectraBase Spectrum ID |
1WVRp23uDDV |
Name |
4-(Hexylamino)-1,2-naphthoquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.141578854 u |
Formula |
C16H19NO2 |
InChI |
InChI=1S/C16H19NO2/c1-2-3-4-7-10-17-14-11-15(18)16(19)13-9-6-5-8-12(13)14/h5-6,8-9,11,17H,2-4,7,10H2,1H3 |
InChIKey |
UPLZKQNOPUZLCS-UHFFFAOYSA-N |
Molecular Weight |
257.333 g/mol |
SMILES |
N(C1=CC(C(C=2C=CC=CC12)=O)=O)CCCCCC |
Spectrum/Structure Validation Score (Raman) |
0.811379 |