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2-Pentenedioic acid, 2-[4-(ethoxycarbonyl)-5-methyl-3-isoxazolyl]-, diethyl ester
SpectraBase Compound ID RUoc4UbWw4
InChI InChI=1S/C16H21NO7/c1-5-21-12(18)9-8-11(15(19)22-6-2)14-13(10(4)24-17-14)16(20)23-7-3/h8H,5-7,9H2,1-4H3/b11-8-
InChIKey UKYAJQBDCXMGRV-FLIBITNWSA-N
Mol Weight 339.34 g/mol
Molecular Formula C16H21NO7
Exact Mass 339.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dGHvtlkniS
Name 2-Pentenedioic acid, 2-[4-(ethoxycarbonyl)-5-methyl-3-isoxazolyl]-, diethyl ester
CAS Registry Number 107428-89-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO7
InChI InChI=1S/C16H21NO7/c1-5-21-12(18)9-8-11(15(19)22-6-2)14-13(10(4)24-17-14)16(20)23-7-3/h8H,5-7,9H2,1-4H3/b11-8-
InChIKey UKYAJQBDCXMGRV-FLIBITNWSA-N
Molecular Weight 339.344 g/mol
SMILES c1(c(c(C)on1)C(=O)OCC)\C(=C\CC(=O)OCC)C(=O)OCC
SPLASH splash10-00kf-0391000000-98a26fb0f286170bc586
Source of Spectrum KC-1986-930-1
Synonyms Diethyl (2Z)-2-[4-(ethoxycarbonyl)-5-methyl-3-isoxazolyl]-2-pentenedioate Diethyl 2-(4'-ethoxycarbonyl-5'-methylisoxazol-3'-yl)glutaconate
Wiley ID 1334386