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Variquat 450

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Variquat 450
SpectraBase Compound ID 5viAHpjmR6B
InChI InChI=1S/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)20-23(2,3)4;/h15,17-19H,5-14,16,20H2,1-4H3;1H/q+1;/p-1
InChIKey NWUZFHOECSNOOL-UHFFFAOYSA-M
Mol Weight 354.0 g/mol
Molecular Formula C22H40ClN
Exact Mass 353.284928 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 79ZjhLKgTj3
Name Variquat 450
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.284927992 u
Formula C22H40ClN
InChI InChI=1S/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)20-23(2,3)4;/h15,17-19H,5-14,16,20H2,1-4H3;1H/q+1;/p-1
InChIKey NWUZFHOECSNOOL-UHFFFAOYSA-M
Molecular Weight 354.022 g/mol
SMILES [Cl-].C=1C(=CC=CC1C[N+](C)(C)C)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.969374