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2-Amino-4-(tert-butyl)-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID 6FYY3a53Y4O
InChI InChI=1S/C20H21N3O/c1-20(2,3)14-9-10-15(16(21)12-14)19(24)23-17-8-4-6-13-7-5-11-22-18(13)17/h4-12H,21H2,1-3H3,(H,23,24)
InChIKey MMYBKJOFVCWJQQ-UHFFFAOYSA-N
Mol Weight 319.41 g/mol
Molecular Formula C20H21N3O
Exact Mass 319.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dP28wnR68
Name 2-Amino-4-(tert-butyl)-N-(quinolin-8-yl)benzamide
Appearance Pale yellow solid
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Exact Mass 319.168462307 u
Formula C20H21N3O
InChI InChI=1S/C20H21N3O/c1-20(2,3)14-9-10-15(16(21)12-14)19(24)23-17-8-4-6-13-7-5-11-22-18(13)17/h4-12H,21H2,1-3H3,(H,23,24)
InChIKey MMYBKJOFVCWJQQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 319.408 g/mol
Quality 49
Reported Formula C20H21ON3
SMILES NC1=C(C(=O)NC2=CC=CC3=C2N=CC=C3)C=CC(=C1)C(C)(C)C
SPLASH splash10-00or-0918000000-209d0ae127da59015c6f
Source of Spectrum ACI-56-SM12-6c (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.35 (pentane/EtOAc, 8:1)
Wiley ID 1896225