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6-[(p-Chlorobenzyl)thio]-3-(3-methoxypropyl)-1,2,3,4-tetrahydro-S-triazine, monohydrochloride

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

6-[(p-Chlorobenzyl)thio]-3-(3-methoxypropyl)-1,2,3,4-tetrahydro-S-triazine, monohydrochloride
SpectraBase Compound ID 5KxsWY3N3BO
InChI InChI=1S/C14H20ClN3OS.ClH/c1-19-8-2-7-18-10-16-14(17-11-18)20-9-12-3-5-13(15)6-4-12;/h3-6H,2,7-11H2,1H3,(H,16,17);1H
InChIKey CLGXWBRQJZHXTH-UHFFFAOYSA-N
Mol Weight 350.31 g/mol
Molecular Formula C14H21Cl2N3OS
Exact Mass 349.078239 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DN1rBf0pLDN
Name 6-[(p-Chlorobenzyl)thio]-3-(3-methoxypropyl)-1,2,3,4-tetrahydro-S-triazine, monohydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.078238881 u
Formula C14H21Cl2N3OS
InChI InChI=1S/C14H20ClN3OS.ClH/c1-19-8-2-7-18-10-16-14(17-11-18)20-9-12-3-5-13(15)6-4-12;/h3-6H,2,7-11H2,1H3,(H,16,17);1H
InChIKey CLGXWBRQJZHXTH-UHFFFAOYSA-N
Molecular Weight 350.308 g/mol
SMILES Cl.N1C(=NCN(C1)CCCOC)SCC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Raman) 0.733088