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2,2 Dimethylmalonic acid methyl 2-phenylethyl ester
SpectraBase Compound ID H3kdKcyXeXi
InChI InChI=1S/C14H18O4/c1-14(2,12(15)17-3)13(16)18-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey UNXNYTPWTGCNQX-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qRkILep8Ju
Name 2,2 Dimethylmalonic acid methyl 2-phenylethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2,12(15)17-3)13(16)18-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey UNXNYTPWTGCNQX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702580a
Molecular Weight 250.294 g/mol
SMILES CC(C)(C(OCCc1ccccc1)=O)C(OC)=O
SPLASH splash10-0udi-0900000000-089450d02847cd6deb5a
Source of Spectrum A1-10-53/SMS9-29
Synonyms 1-Methyl 3-phenethyl 2,2-dimethylmalonate
Wiley ID 1756286