SpectraBase Spectrum ID |
KIwW8S0GWt |
Name |
1,3-Dineopentylnaphtho[2,3-D]imidazoline-2-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
340.197320084 u |
Formula |
C21H28N2S |
InChI |
InChI=1S/C21H28N2S/c1-20(2,3)13-22-17-11-15-9-7-8-10-16(15)12-18(17)23(19(22)24)14-21(4,5)6/h7-12H,13-14H2,1-6H3 |
InChIKey |
NECVPELQPPSIRB-UHFFFAOYSA-N |
Molecular Weight |
340.529 g/mol |
SMILES |
C1(N(C2=CC3=CC=CC=C3C=C2N1CC(C)(C)C)CC(C)(C)C)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803217 |