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5-benzyl-1-ethyltetrahydro-1,3,5-triazine-2(1H)-thione

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-benzyl-1-ethyltetrahydro-1,3,5-triazine-2(1H)-thione
SpectraBase Compound ID LAjDSbThZ2U
InChI InChI=1S/C12H17N3S/c1-2-15-10-14(9-13-12(15)16)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,16)
InChIKey OXOCBHPYFBVZDH-UHFFFAOYSA-N
Mol Weight 235.35 g/mol
Molecular Formula C12H17N3S
Exact Mass 235.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gvz8W8ZyDO5
Name 5-Benzyl-1-ethyl-1,3,5-triazinane-2-thione
Alternate Name(s) 1-Ethyl-5-(phenylmethyl)-1,3,5-triazinane-2-thione [1,3,5]Triazinane-2-thione, 5-benzyl-1-ethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3S
InChI InChI=1S/C12H17N3S/c1-2-15-10-14(9-13-12(15)16)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,16)
InChIKey OXOCBHPYFBVZDH-UHFFFAOYSA-N
Molecular Weight 235.349 g/mol
SMILES N1CN(CN(C1=S)CC)Cc1ccccc1
SPLASH splash10-0006-9310000000-1dea435e9acf55b06cb3
Wiley ID 1441978