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Propanedioic acid, [(7-phenyl-1,6-cycloheptadien-1-yl)methyl]-, diethyl ester
SpectraBase Compound ID H6oWcT6sCQW
InChI InChI=1S/C21H26O4/c1-3-24-20(22)19(21(23)25-4-2)15-17-13-9-6-10-14-18(17)16-11-7-5-8-12-16/h5,7-8,11-14,19H,3-4,6,9-10,15H2,1-2H3
InChIKey DJXOAZPSRBQWCH-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0FQHmoNu6
Name Propanedioic acid, [(7-phenyl-1,6-cycloheptadien-1-yl)methyl]-, diethyl ester
Alternate Name(s) 1-Phenyl-2-[2',2'-di(carboethoxy)ethanle]-1,3-cycloheptadiene and 2-phenyl-3-[2',2'-di(carboethoxy)ethane-1,3-cycloheptadiene Diethyl 2-[(7-phenyl-1,6-cycloheptadien-1-yl)methyl]malonate
CAS Registry Number 129748-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-3-24-20(22)19(21(23)25-4-2)15-17-13-9-6-10-14-18(17)16-11-7-5-8-12-16/h5,7-8,11-14,19H,3-4,6,9-10,15H2,1-2H3
InChIKey DJXOAZPSRBQWCH-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C(CC=1C(c2ccccc2)=CCCCC1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00lu-1911000000-aa5354295cb8b36bad57
Source of Spectrum F-46-2278-15
Wiley ID 1336800