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TRANS-DEHYDROCROTONIN
SpectraBase Compound ID D0qzlHHqRdk
InChI InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1
InChIKey PHTWCRQCDPNVLQ-WCARXYILSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExntSH0mm0q
Name T-DEHYDROCROTONIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15+,16+,17-,19-/m1/s1
InChIKey PHTWCRQCDPNVLQ-WCARXYILSA-N
Literature Reference Author M.A.M.MACIEL,A.C.PINTO,S.N.BRABO,M.N.D.SILVA
Literature Reference Citation PHYTOCHEM.,49,823(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00163-0
Molecular Weight 314.381 g/mol
Solvent CDCl3
Source File Reference UWLU339