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3,3-Bis(4-methoxy-3,5-dimethylphenyl)pentanedioic Acid
SpectraBase Compound ID HlLgQdgTBOG
InChI InChI=1S/C23H28O6/c1-13-7-17(8-14(2)21(13)28-5)23(11-19(24)25,12-20(26)27)18-9-15(3)22(29-6)16(4)10-18/h7-10H,11-12H2,1-6H3,(H,24,25)(H,26,27)
InChIKey SBCOONFJKGLGSV-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLz17rPJkO1
Name 3,3-Bis(4-methoxy-3,5-dimethylphenyl)pentanedioic Acid
Alternate Name(s) 3,3-bis(4-methoxy-3,5-dimethyl-phenyl)pentanedioic acid
CAS Registry Number 124942-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-13-7-17(8-14(2)21(13)28-5)23(11-19(24)25,12-20(26)27)18-9-15(3)22(29-6)16(4)10-18/h7-10H,11-12H2,1-6H3,(H,24,25)(H,26,27)
InChIKey SBCOONFJKGLGSV-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
SMILES OC(CC(CC(=O)O)(c1cc(C)c(c(c1)C)OC)c1cc(C)c(c(c1)C)OC)=O
SPLASH splash10-0002-0093000000-3d36a01f2023710db986
Source of Spectrum C-112-1789-10
Wiley ID 1369477