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3-(Methoxycarbonylmethylamino)but-2-enoic acid, 2-iodoethyl ester
SpectraBase Compound ID LOVqvtpO9Mu
InChI InChI=1S/C9H14INO4/c1-7(11-6-9(13)14-2)5-8(12)15-4-3-10/h5,11H,3-4,6H2,1-2H3/b7-5+
InChIKey NMEWZMUAPHXXHD-FNORWQNLSA-N
Mol Weight 327.12 g/mol
Molecular Formula C9H14INO4
Exact Mass 326.996753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu3xZvxCMso
Name 3-(Methoxycarbonylmethylamino)but-2-enoic acid, 2-iodoethyl ester
Alternate Name(s) 2-Iodoethyl (2E)-3-[(2-methoxy-2-oxoethyl)amino]-2-butenoate 2-iodoethyl (E)-3-[(2-methoxy-2-oxoethyl)amino]but-2-enoate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14INO4
InChI InChI=1S/C9H14INO4/c1-7(11-6-9(13)14-2)5-8(12)15-4-3-10/h5,11H,3-4,6H2,1-2H3/b7-5+
InChIKey NMEWZMUAPHXXHD-FNORWQNLSA-N
Molecular Weight 327.118 g/mol
SMILES N(\C(C)=C\C(=O)OCCI)CC(OC)=O
SPLASH splash10-0c04-9721000000-ecddfb0619022feee166
Wiley ID 1475408