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Propanedioic acid, [5-(cyanomethyl)-2-methoxyphenyl]hydroxy-, diethyl ester
SpectraBase Compound ID B00QH0kFWxH
InChI InChI=1S/C16H19NO6/c1-4-22-14(18)16(20,15(19)23-5-2)12-10-11(8-9-17)6-7-13(12)21-3/h6-7,10,20H,4-5,8H2,1-3H3
InChIKey IMZRCVINRTUOTP-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W4mZ7WU95b
Name Propanedioic acid, [5-(cyanomethyl)-2-methoxyphenyl]hydroxy-, diethyl ester
CAS Registry Number 83026-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-4-22-14(18)16(20,15(19)23-5-2)12-10-11(8-9-17)6-7-13(12)21-3/h6-7,10,20H,4-5,8H2,1-3H3
InChIKey IMZRCVINRTUOTP-UHFFFAOYSA-N
Molecular Weight 321.329 g/mol
SMILES OC(c1c(ccc(c1)CC#N)OC)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0910000000-8ea644beeb643dbd9bdc
Source of Spectrum J-47-4697-0
Synonyms Diethyl 2-[5-(cyanomethyl)-2-methoxyphenyl]-2-hydroxymalonate Diethyl[2-methoxy-5-(cyanomethyl)phenyl]tartronate
Wiley ID 1320840