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

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

3-Ethyl-6-[(p-methylbenzyl)thio]-1,2,3,4-tetrahydro-S-triazine, monohydrochloride
SpectraBase Compound ID I9uM2kGqMgi
InChI InChI=1S/C13H19N3S.ClH/c1-3-16-9-14-13(15-10-16)17-8-12-6-4-11(2)5-7-12;/h4-7H,3,8-10H2,1-2H3,(H,14,15);1H
InChIKey TZELFEAVKHKUJD-UHFFFAOYSA-N
Mol Weight 285.84 g/mol
Molecular Formula C13H20ClN3S
Exact Mass 285.106647 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KMYMFd87Xqk
Name 3-Ethyl-6-[(p-methylbenzyl)thio]-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 285.106646530 u
Formula C13H20ClN3S
InChI InChI=1S/C13H19N3S.ClH/c1-3-16-9-14-13(15-10-16)17-8-12-6-4-11(2)5-7-12;/h4-7H,3,8-10H2,1-2H3,(H,14,15);1H
InChIKey TZELFEAVKHKUJD-UHFFFAOYSA-N
SMILES Cl.N1C(=NCN(C1)CC)SCC1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Raman) 0.94424