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1-O-ethyl 5-O-methyl 2-[(E)-but-2-enyl]-4-cyanopentanedioate
SpectraBase Compound ID BDi3R8l2e5K
InChI InChI=1S/C13H19NO4/c1-4-6-7-10(13(16)18-5-2)8-11(9-14)12(15)17-3/h4,6,10-11H,5,7-8H2,1-3H3/b6-4+
InChIKey ULQUHQANDVFKJN-GQCTYLIASA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2215CItAe3
Name 1-O-ethyl 5-O-methyl 2-[(E)-but-2-enyl]-4-cyanopentanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-4-6-7-10(13(16)18-5-2)8-11(9-14)12(15)17-3/h4,6,10-11H,5,7-8H2,1-3H3/b6-4+
InChIKey ULQUHQANDVFKJN-GQCTYLIASA-N
Molecular Weight 253.298 g/mol
SMILES C(C(=O)OC)(C#N)CC(C(=O)OCC)C\C=C\C
SPLASH splash10-003r-2900000000-0056c8e572652f649a4e
Source of Spectrum H-83-1761-22
Synonyms 2-[(E)-but-2-enyl]-4-cyano-glutaric acid O1-ethyl ester O5-methyl ester 2-[(E)-but-2-enyl]-4-cyanopentanedioic acid O1-ethyl ester O5-methyl ester O1-ethyl O5-methyl 2-[(E)-but-2-enyl]-4-cyano-pentanedioate
Wiley ID 847284