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2-[4-(N-acetyl-2-iodo-anilino)but-2-ynyl]-2-[4-(diethylamino)but-2-ynyl]malonic acid diethyl ester
SpectraBase Compound ID EOiL34XqDri
InChI InChI=1S/C27H35IN2O5/c1-6-29(7-2)20-14-12-18-27(25(32)34-8-3,26(33)35-9-4)19-13-15-21-30(22(5)31)24-17-11-10-16-23(24)28/h10-11,16-17H,6-9,18-21H2,1-5H3
InChIKey MXLGBGCOXFFTCM-UHFFFAOYSA-N
Mol Weight 594.5 g/mol
Molecular Formula C27H35IN2O5
Exact Mass 594.159067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sGcpWtYS1x
Name 2-[4-(N-acetyl-2-iodo-anilino)but-2-ynyl]-2-[4-(diethylamino)but-2-ynyl]malonic acid diethyl ester
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Formula C27H35IN2O5
InChI InChI=1S/C27H35IN2O5/c1-6-29(7-2)20-14-12-18-27(25(32)34-8-3,26(33)35-9-4)19-13-15-21-30(22(5)31)24-17-11-10-16-23(24)28/h10-11,16-17H,6-9,18-21H2,1-5H3
InChIKey MXLGBGCOXFFTCM-UHFFFAOYSA-N
Molecular Weight 594.490 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC#CCN(c1c(I)cccc1)C(=O)C)CC#CCN(CC)CC
SPLASH splash10-025c-9315010000-04fb0169b33dbf8f20eb
Source of Spectrum F-52-11493-23
Synonyms 2-[4-(N-acetyl-2-iodoanilino)but-2-ynyl]-2-[4-(diethylamino)but-2-ynyl]propanedioic acid diethyl ester Diethyl 2-[4-(diethylamino)but-2-ynyl]-2-[4-[ethanoyl-(2-iodanylphenyl)amino]but-2-ynyl]propanedioate Diethyl 2-[4-(N-acetyl-2-iodo-anilino)but-2-ynyl]-2-[4-(diethylamino)but-2-ynyl]propanedioate
Wiley ID 798370