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cis-4-isobutyl-3-phenyl-3,4-dihydrocoumarin
SpectraBase Compound ID IhZOWK0JyYc
InChI InChI=1S/C19H20O2/c1-13(2)12-16-15-10-6-7-11-17(15)21-19(20)18(16)14-8-4-3-5-9-14/h3-11,13,16,18H,12H2,1-2H3/t16-,18-/m1/s1
InChIKey RZBYTVGLVXJRSE-SJLPKXTDSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgvXQnCSc2P
Name cis-4-isobutyl-3-phenyl-3,4-dihydrocoumarin
Alternate Name(s) (3S,4S)-4-isobutyl-3-phenyl-3,4-dihydro-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-13(2)12-16-15-10-6-7-11-17(15)21-19(20)18(16)14-8-4-3-5-9-14/h3-11,13,16,18H,12H2,1-2H3/t16-,18-/m1/s1
InChIKey RZBYTVGLVXJRSE-SJLPKXTDSA-N
Molecular Weight 280.367 g/mol
SMILES C1(Oc2ccccc2[C@]([C@]1(c1ccccc1)[H])(CC(C)C)[H])=O
SPLASH splash10-05fs-5790000000-92c4812eff0fb2c9e3c9
Source of Spectrum HC-18-19-0
Wiley ID 1284396