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p-(2,5-dimethyl-3-formylpyrrol-1-yl)benzoic acid, ethyl ester
SpectraBase Compound ID 4v7xlAhNHjm
InChI InChI=1S/C16H17NO3/c1-4-20-16(19)13-5-7-15(8-6-13)17-11(2)9-14(10-18)12(17)3/h5-10H,4H2,1-3H3
InChIKey INHIPLWUOJQIIQ-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80AicAr4n9B
Name Ethyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Alternate Name(s) 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoic acid ethyl ester 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid ethyl ester Benzoic acid, 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)-, ethyl ester Ethyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate Ethyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate
CAS Registry Number 52034-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-4-20-16(19)13-5-7-15(8-6-13)17-11(2)9-14(10-18)12(17)3/h5-10H,4H2,1-3H3
InChIKey INHIPLWUOJQIIQ-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES CCOC(=O)c1ccc(cc1)-[n]1c(c(cc1C)C=O)C
SPLASH splash10-004i-4930000000-1f77c36cb343c5418aa4
Source of Spectrum AD-0-2532-0
Wiley ID 1425313