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6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-S-triazine, monohydrochloride

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

6-(Benzylthio)-3-methyl-1,2,3,4-tetrahydro-S-triazine, monohydrochloride
SpectraBase Compound ID LuW8bh3NYvQ
InChI InChI=1S/C11H15N3S.ClH/c1-14-8-12-11(13-9-14)15-7-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,12,13);1H
InChIKey JZTAICXVXYUHQF-UHFFFAOYSA-N
Mol Weight 257.78 g/mol
Molecular Formula C11H16ClN3S
Exact Mass 257.075346 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Cd3eCuVm8WC
Name 6-(Benzylthio)-3-methyl-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 257.075346401 u
Formula C11H16ClN3S
InChI InChI=1S/C11H15N3S.ClH/c1-14-8-12-11(13-9-14)15-7-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,12,13);1H
InChIKey JZTAICXVXYUHQF-UHFFFAOYSA-N
Molecular Weight 257.783 g/mol
SMILES N1CN(CN=C1SCC1=CC=CC=C1)C.Cl
Spectrum/Structure Validation Score (Raman) 0.896293