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5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-hydroxy-1-benzopyran-2-one
SpectraBase Compound ID IGbmcmCE4m1
InChI InChI=1S/C19H22O4/c1-13(2)5-4-6-14(3)9-10-22-17-11-15(20)12-18-16(17)7-8-19(21)23-18/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-9+
InChIKey WLGKAJXVMRUMDU-NTEUORMPSA-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 FZnSFGV4Zig
Name 5-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-7-hydroxy-1-benzopyran-2-one
Comments Computed using HOSE algorithm
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Exact Mass 314.151809184 u
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-13(2)5-4-6-14(3)9-10-22-17-11-15(20)12-18-16(17)7-8-19(21)23-18/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-9+
InChIKey WLGKAJXVMRUMDU-NTEUORMPSA-N
Molecular Weight 314.381 g/mol
SMILES C1(OC=2C=C(C=C(C2C=C1)OC\C=C/(C)CCC=C(C)C)O)=O