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Propanedioic acid, (acetyloxy)[5-(cyanomethyl)-2-methoxyphenyl]-, diethyl ester
SpectraBase Compound ID LILbk9FwX7v
InChI InChI=1S/C18H21NO7/c1-5-24-16(21)18(26-12(3)20,17(22)25-6-2)14-11-13(9-10-19)7-8-15(14)23-4/h7-8,11H,5-6,9H2,1-4H3
InChIKey RIYDJHJMGKDMMU-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C18H21NO7
Exact Mass 363.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUKWVeEBzhQ
Name Propanedioic acid, (acetyloxy)[5-(cyanomethyl)-2-methoxyphenyl]-, diethyl ester
CAS Registry Number 83026-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO7
InChI InChI=1S/C18H21NO7/c1-5-24-16(21)18(26-12(3)20,17(22)25-6-2)14-11-13(9-10-19)7-8-15(14)23-4/h7-8,11H,5-6,9H2,1-4H3
InChIKey RIYDJHJMGKDMMU-UHFFFAOYSA-N
Molecular Weight 363.366 g/mol
SMILES C(c1c(ccc(c1)CC#N)OC)(C(=O)OCC)(C(=O)OCC)OC(=O)C
SPLASH splash10-00di-0912000000-03b24cdf4ddf657ec0a3
Source of Spectrum J-47-4698-0
Synonyms Diethyl 2-(acetyloxy)-2-[5-(cyanomethyl)-2-methoxyphenyl]malonate Diethyl acetoxy[2-methoxy-3-methylphenyl]propanedioate
Wiley ID 1350184