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N-2-keto derivative of methapyrilene
SpectraBase Compound ID 64s9oC8Oj3s
InChI InChI=1S/C14H17N3OS/c1-12(18)15-8-9-17(11-13-5-4-10-19-13)14-6-2-3-7-16-14/h2-7,10H,8-9,11H2,1H3,(H,15,18)
InChIKey JHFFXTAXLRTAQC-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C14H17N3OS
Exact Mass 275.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95XE3Pn7DM8
Name N-2-keto derivative of methapyrilene
Alternate Name(s) N-{2-[2-pyridinyl(2-thienylmethyl)amino]ethyl}acetamide
Comments Edited after expert review for air contamination - Original record with SpectrumID 1279008 moved to the Legacy library
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Formula C14H17N3OS
InChI InChI=1S/C14H17N3OS/c1-12(18)15-8-9-17(11-13-5-4-10-19-13)14-6-2-3-7-16-14/h2-7,10H,8-9,11H2,1H3,(H,15,18)
InChIKey JHFFXTAXLRTAQC-UHFFFAOYSA-N
Molecular Weight 275.370 g/mol
SMILES N(C(=O)C)CCN(c1ncccc1)Cc1sccc1
SPLASH splash10-000e-9200000000-1f6c71ce0446800c351d
Source of Spectrum GC-11-149-6
Wiley ID 1821003