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p-carboxyhydrocinnamic acid, dimethyl ester
SpectraBase Compound ID AOjWdvcSiML
InChI InChI=1S/C12H14O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-4,6-7H,5,8H2,1-2H3
InChIKey MLKXCCLYRPKSBM-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9USsAxs53hi
Name 4-(2-Methoxycarbonylethyl)benzoic acid, methyl ester
CAS Registry Number 40912-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-4,6-7H,5,8H2,1-2H3
InChIKey MLKXCCLYRPKSBM-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(=O)(c1ccc(cc1)CCC(=O)OC)OC
SPLASH splash10-03k9-2910000000-fa72dc77b357c5f4b821
Synonyms 4-(3-keto-3-methoxy-propyl)benzoic acid methyl ester 4-(3-Methoxy-3-oxopropyl)benzoic acid methyl ester Methyl 4-(3-methoxy-3-oxidanylidene-propyl)benzoate Methyl 4-(3-methoxy-3-oxo-propyl)benzoate
Wiley ID 1484783