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2-((2S*,4R*)-4-(p-Tolyl)chroman-2-yl)pyridine
SpectraBase Compound ID 1XkCVXY1pJ2
InChI InChI=1S/C21H19NO/c1-15-9-11-16(12-10-15)18-14-21(19-7-4-5-13-22-19)23-20-8-3-2-6-17(18)20/h2-13,18,21H,14H2,1H3/t18-,21+/m1/s1
InChIKey GINDOHDNUMHYNP-NQIIRXRSSA-N
Mol Weight 301.39 g/mol
Molecular Formula C21H19NO
Exact Mass 301.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XzP9x5Z2zY
Name 2-((2S*,4R*)-4-(p-Tolyl)chroman-2-yl)pyridine
Appearance White solid
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Exact Mass 301.146664235 u
Formula C21H19NO
InChI InChI=1S/C21H19NO/c1-15-9-11-16(12-10-15)18-14-21(19-7-4-5-13-22-19)23-20-8-3-2-6-17(18)20/h2-13,18,21H,14H2,1H3/t18-,21+/m1/s1
InChIKey GINDOHDNUMHYNP-NQIIRXRSSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302328s
Quality 129
Reported Formula C21H19NO
SMILES C1=CC2=C(C=C1)O[C@@](C[C@@]2(C1=CC=C(C=C1)C)[H])(C1=CC=CC=N1)[H]
SPLASH splash10-0002-0900000000-f47d1300a36ec9b63b60
Source of Spectrum JOC-78-1415-11c-endo (DOI: 10.1021/jo302328s)
Thin-Layer Chromatography 0.12 (10% ethyl acetate/hexane)
Wiley ID 1911735