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2-Butenedioic acid, 2-[(methylphenylamino)methyl]-, 1-methyl ester, (E)-
SpectraBase Compound ID JIwj2A91hR2
InChI InChI=1S/C13H15NO4/c1-14(11-6-4-3-5-7-11)9-10(8-12(15)16)13(17)18-2/h3-8H,9H2,1-2H3,(H,15,16)/b10-8+
InChIKey NDNJNGJJIDTGSH-CSKARUKUSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZxH9MESdRB
Name 2-Butenedioic acid, 2-[(methylphenylamino)methyl]-, 1-methyl ester, (E)-
CAS Registry Number 69804-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-14(11-6-4-3-5-7-11)9-10(8-12(15)16)13(17)18-2/h3-8H,9H2,1-2H3,(H,15,16)/b10-8+
InChIKey NDNJNGJJIDTGSH-CSKARUKUSA-N
Molecular Weight 249.266 g/mol
SMILES OC(\C=C\(C(=O)OC)CN(c1ccccc1)C)=O
SPLASH splash10-052f-1910000000-4ffd84b34d2bda287a21
Source of Spectrum KC-1978-1493-0
Synonyms (2E)-4-methoxy-3-[(methylanilino)methyl]-4-oxo-2-butenoic acid (E)-3-Methoxycarbonyl-4-(N-methyl-N-phenylamino)but-2-enoic acid
Wiley ID 1252111