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6-(2-benzyl-3-hydroxy-3-oxo-propyl)indane-5-carboxylic acid
SpectraBase Compound ID DewqTzviUz3
InChI InChI=1S/C20H20O4/c21-19(22)17(9-13-5-2-1-3-6-13)11-16-10-14-7-4-8-15(14)12-18(16)20(23)24/h1-3,5-6,10,12,17H,4,7-9,11H2,(H,21,22)(H,23,24)
InChIKey UNHANYSHVHZMDL-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ss0gQVqdoK
Name 6-(2-benzyl-3-hydroxy-3-oxo-propyl)indane-5-carboxylic acid
Alternate Name(s) 6-(2-benzyl-3-hydroxy-3-oxopropyl)-2,3-dihydro-1H-indene-5-carboxylic acid 6-(2-carboxy-3-phenylpropyl)-5-indanecarboxylic acid 6-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-2,3-dihydro-1H-indene-5-carboxylic acid 6-(2-carboxy-3-phenylpropyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CAS Registry Number 125868-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c21-19(22)17(9-13-5-2-1-3-6-13)11-16-10-14-7-4-8-15(14)12-18(16)20(23)24/h1-3,5-6,10,12,17H,4,7-9,11H2,(H,21,22)(H,23,24)
InChIKey UNHANYSHVHZMDL-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES OC(c1c(CC(C(=O)O)Cc2ccccc2)cc2c(c1)CCC2)=O
SPLASH splash10-001i-0963000000-478475dcbcdea0553e57
Source of Spectrum AH-120-616-20
Wiley ID 1323446