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2-((2S*,4R*)-6-Methyl-4-phenylchroman-2-yl)pyridine
SpectraBase Compound ID CN6dUCkAf97
InChI InChI=1S/C21H19NO/c1-15-10-11-20-18(13-15)17(16-7-3-2-4-8-16)14-21(23-20)19-9-5-6-12-22-19/h2-13,17,21H,14H2,1H3/t17-,21+/m1/s1
InChIKey ZWGLZZWEMQESBW-UTKZUKDTSA-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 BkT8YH57e4K
Name 2-((2S*,4R*)-6-Methyl-4-phenylchroman-2-yl)pyridine
Appearance White solid
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Exact Mass 301.146664235 u
Formula C21H19NO
InChI InChI=1S/C21H19NO/c1-15-10-11-20-18(13-15)17(16-7-3-2-4-8-16)14-21(23-20)19-9-5-6-12-22-19/h2-13,17,21H,14H2,1H3/t17-,21+/m1/s1
InChIKey ZWGLZZWEMQESBW-UTKZUKDTSA-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(C=1C=CC=CC1)[H])(C1=CC=CC=N1)[H])C
SPLASH splash10-0002-0900000000-dc23b4e4b37ddf2c5021
Source of Spectrum JOC-78-1416-12d-endo (DOI: 10.1021/jo302328s)
Wiley ID 1911738