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6-((1R,2S,3S,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl)picolinonitrile
SpectraBase Compound ID LKDocTPTTPC
InChI InChI=1S/C20H16N2O/c21-12-16-7-4-8-17(22-16)20(23)19-15-10-9-14(11-15)18(19)13-5-2-1-3-6-13/h1-10,14-15,18-19H,11H2/t14-,15+,18+,19+/m1/s1
InChIKey BGLREHMEPOVKAC-PDWMJMLSSA-N
Mol Weight 300.36 g/mol
Molecular Formula C20H16N2O
Exact Mass 300.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PdxAaASPf6
Name 6-((1R,2S,3S,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl)picolinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O
InChI InChI=1S/C20H16N2O/c21-12-16-7-4-8-17(22-16)20(23)19-15-10-9-14(11-15)18(19)13-5-2-1-3-6-13/h1-10,14-15,18-19H,11H2/t14-,15+,18+,19+/m1/s1
InChIKey BGLREHMEPOVKAC-PDWMJMLSSA-N
Literature Reference DOI 10.1021/ol0705752
Molecular Weight 300.361 g/mol
SMILES C(=O)(c1nc(ccc1)C#N)[C@]1([C@@]2(C[C@@](C=C2)([C@@]1(c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-001i-2790000000-e9fce98ba4f5583d8835
Source of Spectrum A1-9-1983/SMS12-Endo_13
Wiley ID 1758133