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5,6-Dimethyl-1-(piperidinomethyl)-2-benzimidazolinethione
SpectraBase Compound ID LfVA9YnrU59
InChI InChI=1S/C15H21N3S/c1-11-8-13-14(9-12(11)2)18(15(19)16-13)10-17-6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,16,19)
InChIKey BLVFYUGNVAFHPF-UHFFFAOYSA-N
Mol Weight 275.41 g/mol
Molecular Formula C15H21N3S
Exact Mass 275.145619 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LdnO5iRxhat
Name 5,6-Dimethyl-1-(piperidinomethyl)-2-benzimidazolinethione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.145618862 u
Formula C15H21N3S
InChI InChI=1S/C15H21N3S/c1-11-8-13-14(9-12(11)2)18(15(19)16-13)10-17-6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,16,19)
InChIKey BLVFYUGNVAFHPF-UHFFFAOYSA-N
Molecular Weight 275.414 g/mol
SMILES N1C=2C=C(C(=CC2N(C1=S)CN1CCCCC1)C)C
Spectrum/Structure Validation Score (Raman) 0.831978