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1,4-Dicyano-2,5-bis[4'-(2"-hydroxymethylphenyl) butyl]-3,6-dimethoxybenzene
SpectraBase Compound ID CRicPH7DxPz
InChI InChI=1S/C32H36N2O4/c1-37-31-27(17-9-7-13-23-11-3-5-15-25(23)21-35)30(20-34)32(38-2)28(29(31)19-33)18-10-8-14-24-12-4-6-16-26(24)22-36/h3-6,11-12,15-16,35-36H,7-10,13-14,17-18,21-22H2,1-2H3
InChIKey BCDIDCBJBAXQOU-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C32H36N2O4
Exact Mass 512.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cf1S66NqUiX
Name 1,4-Dicyano-2,5-bis[4'-(2"-hydroxymethylphenyl) butyl]-3,6-dimethoxybenzene
Alternate Name(s) 2,5-bis{4-[2-(hydroxymethyl)phenyl]butyl}-3,6-dimethoxyterephthalonitrile
CAS Registry Number 142397-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36N2O4
InChI InChI=1S/C32H36N2O4/c1-37-31-27(17-9-7-13-23-11-3-5-15-25(23)21-35)30(20-34)32(38-2)28(29(31)19-33)18-10-8-14-24-12-4-6-16-26(24)22-36/h3-6,11-12,15-16,35-36H,7-10,13-14,17-18,21-22H2,1-2H3
InChIKey BCDIDCBJBAXQOU-UHFFFAOYSA-N
Molecular Weight 512.650 g/mol
SMILES OCc1c(CCCCc2c(c(c(CCCCc3c(CO)cccc3)c(c2C#N)OC)C#N)OC)cccc1
SPLASH splash10-05po-1900400000-bae2c9431939002fbb50
Source of Spectrum K-125-2293-31
Wiley ID 1400883