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2,3-bis(3,4,5-Trimethoxyphenyl)propanenitrile

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2,3-bis(3,4,5-Trimethoxyphenyl)propanenitrile
SpectraBase Compound ID DpIHCmZ9r8U
InChI InChI=1S/C21H25NO6/c1-23-16-8-13(9-17(24-2)20(16)27-5)7-15(12-22)14-10-18(25-3)21(28-6)19(11-14)26-4/h8-11,15H,7H2,1-6H3
InChIKey RHVNMBBLWBCLIK-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A37VNLqrOTN
Name 2,3-bis(3,4,5-Trimethoxyphenyl)propanenitrile
Comments Computed using HOSE algorithm
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Exact Mass 387.168187523 u
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-23-16-8-13(9-17(24-2)20(16)27-5)7-15(12-22)14-10-18(25-3)21(28-6)19(11-14)26-4/h8-11,15H,7H2,1-6H3
InChIKey RHVNMBBLWBCLIK-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES C(#N)C(C1=CC(=C(OC)C(=C1)OC)OC)CC=1C=C(C(=C(OC)C1)OC)OC