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(2Z)-2-(4-methylbenzylidene)malonic acid O1-tert-butyl ester O3-methyl ester
SpectraBase Compound ID EgFfuYM7Ypi
InChI InChI=1S/C16H20O4/c1-11-6-8-12(9-7-11)10-13(14(17)19-5)15(18)20-16(2,3)4/h6-10H,1-5H3/b13-10-
InChIKey BNLOBQIXAFWVMW-RAXLEYEMSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBgJnJaIj2B
Name (2Z)-2-(4-methylbenzylidene)malonic acid O1-tert-butyl ester O3-methyl ester
Alternate Name(s) (2Z)-2-[(4-methylphenyl)methylidene]propanedioic acid O3-tert-butyl ester O1-methyl ester 3-O-tert-butyl 1-O-methyl (2Z)-2-[(4-methylphenyl)methylidene]propanedioate O1-tert-butyl O3-methyl (2Z)-2-(p-tolylmethylene)propanedioate O3-tert-butyl O1-methyl (2Z)-2-[(4-methylphenyl)methylidene]propanedioate
CAS Registry Number 106098-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-11-6-8-12(9-7-11)10-13(14(17)19-5)15(18)20-16(2,3)4/h6-10H,1-5H3/b13-10-
InChIKey BNLOBQIXAFWVMW-RAXLEYEMSA-N
Molecular Weight 276.332 g/mol
SMILES C(\C(C(=O)OC)=C/c1ccc(cc1)C)(OC(C)(C)C)=O
SPLASH splash10-05xu-1960000000-d0cb71db17aef1a3b426
Source of Spectrum J-51-4128-0
Wiley ID 1280165