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Methyl hydrogen 2-(2,4,6-trimethylphenyl)malonate
SpectraBase Compound ID CraBb3axuBw
InChI InChI=1S/C14H18O4/c1-8-5-9(2)13(10(3)6-8)11(14(16)17)7-12(15)18-4/h5-6,11H,7H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKey BNHDOZWAAFEGLO-NSHDSACASA-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 bihxF6hooz
Name Methyl hydrogen 2-(2,4,6-trimethylphenyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-8-5-9(2)13(10(3)6-8)11(14(16)17)7-12(15)18-4/h5-6,11H,7H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKey BNHDOZWAAFEGLO-NSHDSACASA-N
Molecular Weight 250.294 g/mol
SMILES OC([C@](c1c(cc(cc1C)C)C)(CC(=O)OC)[H])=O
SPLASH splash10-001i-0900000000-11dfa7eb8f20461c465f
Source of Spectrum KC-0-1419-35
Synonyms (S)-Methyl hydrogen 2-(2,4,6-trimethylphenyl)malonate 2-Mesityl-4-methoxy-4-oxobutanoic acid (2S)-4-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)butanoic acid (2S)-4-methoxy-4-oxidanylidene-2-(2,4,6-trimethylphenyl)butanoic acid
Wiley ID 787996