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Methapyrilene metabolite 1
SpectraBase Compound ID GjPDDjY5RFE
InChI InChI=1S/C13H17N3S/c1-14-8-9-16(11-12-5-4-10-17-12)13-6-2-3-7-15-13/h2-7,10,14H,8-9,11H2,1H3
InChIKey MEVRBIXLXBAVEY-UHFFFAOYSA-N
Mol Weight 247.36 g/mol
Molecular Formula C13H17N3S
Exact Mass 247.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdYnzuW8qvl
Name Methapyrilene metabolite 1
CAS Registry Number 78761-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3S
InChI InChI=1S/C13H17N3S/c1-14-8-9-16(11-12-5-4-10-17-12)13-6-2-3-7-15-13/h2-7,10,14H,8-9,11H2,1H3
InChIKey MEVRBIXLXBAVEY-UHFFFAOYSA-N
Molecular Weight 247.360 g/mol
SMILES N(CCN(c1ncccc1)Cc1sccc1)C
SPLASH splash10-052b-9830000000-54db333c29535f26d2d3
Source of Spectrum GC-11-148-5
Synonyms 2-(methylamino)ethyl-(2-pyridyl)-(2-thenyl)amine N-methyl-N'-(2-pyridinyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine N-methyl-N'-(2-pyridyl)-N'-(2-thienylmethyl)ethane-1,2-diamine N-methyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Wiley ID 1249993