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Ethyl 5-(cyanomethyl)-1-benzofuran-2-carboxylate
SpectraBase Compound ID FzPHuI1vZcc
InChI InChI=1S/C13H11NO3/c1-2-16-13(15)12-8-10-7-9(5-6-14)3-4-11(10)17-12/h3-4,7-8H,2,5H2,1H3
InChIKey XEQYWHNMYTXFJQ-UHFFFAOYSA-N
Mol Weight 229.23 g/mol
Molecular Formula C13H11NO3
Exact Mass 229.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ayTZMjo44N
Name Ethyl 5-(cyanomethyl)-1-benzofuran-2-carboxylate
Alternate Name(s) 5-(cyanomethyl)-2-benzofurancarboxylic acid ethyl ester 5-(cyanomethyl)coumarilic acid ethyl ester Benzofuran-2-carboxylic acid, 5-cyanomethyl-, ethyl ester Ethyl 5-(cyanomethyl)benzofuran-2-carboxylate
CAS Registry Number 37797-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO3
InChI InChI=1S/C13H11NO3/c1-2-16-13(15)12-8-10-7-9(5-6-14)3-4-11(10)17-12/h3-4,7-8H,2,5H2,1H3
InChIKey XEQYWHNMYTXFJQ-UHFFFAOYSA-N
Molecular Weight 229.235 g/mol
SMILES c1(oc2ccc(cc2c1)CC#N)C(=O)OCC
SPLASH splash10-0fc0-2950000000-a98bbb488842c575d026
Source of Spectrum AD-0-2532-0
Wiley ID 1425091