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2-(3-phenylpropyl)malonic acid diethyl ester
SpectraBase Compound ID I2nC4VsiRXs
InChI InChI=1S/C16H22O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKey IRRMRULGUABRDC-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vq41HIizg
Name 2-(3-phenylpropyl)malonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-3-19-15(17)14(16(18)20-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
InChIKey IRRMRULGUABRDC-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C(CCCc1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0zmi-0920000000-2a6afa2e234005a3fa18
Source of Spectrum D8-326-987-1
Synonyms 2-(3-phenylpropyl)propanedioic acid diethyl ester Diethyl 2-(3-phenylpropyl)malonate Diethyl 2-(3-phenylpropyl)propanedioate
Wiley ID 1514996