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3-(Cyclohexylmethyl)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)phenyl)-1,3-thiazinan-4-one
SpectraBase Compound ID BJKIf8Qb8DE
InChI InChI=1S/C25H33N3O2S/c1-27(23-9-5-6-15-26-23)16-17-30-22-12-10-21(11-13-22)25-28(24(29)14-18-31-25)19-20-7-3-2-4-8-20/h5-6,9-13,15,20,25H,2-4,7-8,14,16-19H2,1H3
InChIKey PTFXBGWWILDLRA-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H33N3O2S
Exact Mass 439.229348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iHBy52ZBNP
Name 3-(Cyclohexylmethyl)-2-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)phenyl)-1,3-thiazinan-4-one
Appearance Brown oil
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Formula C25H33N3O2S
InChI InChI=1S/C25H33N3O2S/c1-27(23-9-5-6-15-26-23)16-17-30-22-12-10-21(11-13-22)25-28(24(29)14-18-31-25)19-20-7-3-2-4-8-20/h5-6,9-13,15,20,25H,2-4,7-8,14,16-19H2,1H3
InChIKey PTFXBGWWILDLRA-UHFFFAOYSA-N
Instrument Name Shimadzu CG 2010-Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3402
Molecular Weight 439.618 g/mol
SMILES c1nc(ccc1)N(C)CCOc1ccc(cc1)C1N(C(CCS1)=O)CC1CCCCC1
SPLASH splash10-0a4i-7931000000-43de3a61fcb2a571a155
Source of Spectrum Y-56-SM17-10d
Wiley ID 1861076