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1-Allyl-2,5-dimethoxy-4-(.alpha.-acetoxybenzyl)-2,5-cyclohexadiene-1-carboxaldehyde
SpectraBase Compound ID HClrgIrda38
InChI InChI=1S/C23H28O7/c1-7-10-23(14-24)13-20(28-5)18(12-21(23)29-6)22(30-15(2)25)17-11-16(26-3)8-9-19(17)27-4/h7-9,11-14,18,22H,1,10H2,2-6H3/t18-,22?,23?/m0/s1
InChIKey SVIMINYQCJEKTG-NWLLBJEDSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYoJpXmtMpU
Name 1-Allyl-2,5-dimethoxy-4-(.alpha.-acetoxybenzyl)-2,5-cyclohexadiene-1-carboxaldehyde
Alternate Name(s) 1-Allyl-2,5-dimethoxy-4-(.alpha.-acetoxy-2,5-dimethoxy-benzyl)-2,5-cyclohexadiene-1-carboxaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-7-10-23(14-24)13-20(28-5)18(12-21(23)29-6)22(30-15(2)25)17-11-16(26-3)8-9-19(17)27-4/h7-9,11-14,18,22H,1,10H2,2-6H3/t18-,22?,23?/m0/s1
InChIKey SVIMINYQCJEKTG-NWLLBJEDSA-N
Molecular Weight 416.470 g/mol
SMILES [C@@]1(C(c2c(ccc(c2)OC)OC)OC(=O)C)(C=C(OC)C(C=C1OC)(C=O)CC=C)[H]
SPLASH splash10-014i-0900000000-fce170c0516f21c6df8f
Source of Spectrum J-62-4649-25
Wiley ID 1376369