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1,3-Dineopentylnaphtho[2,3-d]imidazoline-2-thione
SpectraBase Compound ID H45OV9AE5NN
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
Mol Weight 340.53 g/mol
Molecular Formula C21H28N2S
Exact Mass 340.19732 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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