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(S,E)-Methyl 4-[(2-Iodobenzoyl)amino]-5-methyl-2-hexenoate
SpectraBase Compound ID HBWBFWcUsMv
InChI InChI=1S/C15H18INO3/c1-10(2)13(8-9-14(18)20-3)17-15(19)11-6-4-5-7-12(11)16/h4-10,13H,1-3H3,(H,17,19)/b9-8+/t13-/m1/s1
InChIKey JCDIQVPIEUCRID-MMQHEFTJSA-N
Mol Weight 387.22 g/mol
Molecular Formula C15H18INO3
Exact Mass 387.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcQpnHylTjM
Name (S,E)-Methyl 4-[(2-Iodobenzoyl)amino]-5-methyl-2-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18INO3
InChI InChI=1S/C15H18INO3/c1-10(2)13(8-9-14(18)20-3)17-15(19)11-6-4-5-7-12(11)16/h4-10,13H,1-3H3,(H,17,19)/b9-8+/t13-/m1/s1
InChIKey JCDIQVPIEUCRID-MMQHEFTJSA-N
Literature Reference DOI 10.1002_1615-4169(20010430)343_4_360
Molecular Weight 387.217 g/mol
SMILES N([C@](\C=C\C(OC)=O)(C(C)C)[H])C(=O)c1ccccc1I
SPLASH splash10-001i-1491000000-1257503feaa156db199f
Source of Spectrum ASC-343-364-4b
Synonyms (S,E)-methyl 4-(2-iodobenzamido)-5-methylhex-2-enoate (E,4S)-4-[[(2-iodophenyl)-oxomethyl]amino]-5-methyl-2-hexenoic acid methyl ester Methyl (E,4S)-4-[(2-iodobenzoyl)amino]-5-methylhex-2-enoate Methyl (E,4S)-4-[(2-iodobenzoyl)amino]-5-methyl-hex-2-enoate Methyl (E,4S)-4-[(2-iodanylphenyl)carbonylamino]-5-methyl-hex-2-enoate
Wiley ID 1767133