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N-(5',5'-Diethoxycarbonylocta-2',7'-diynyl)-2-iodoacetanilide
SpectraBase Compound ID C4qio0sInvV
InChI InChI=1S/C22H24INO5/c1-4-14-22(20(26)28-5-2,21(27)29-6-3)15-10-11-16-24(19(25)17-23)18-12-8-7-9-13-18/h1,7-9,12-13H,5-6,14-17H2,2-3H3
InChIKey XMMPSENQRFXSJI-UHFFFAOYSA-N
Mol Weight 509.34 g/mol
Molecular Formula C22H24INO5
Exact Mass 509.069918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XxLtH4VEuf
Name N-(5',5'-Diethoxycarbonylocta-2',7'-diynyl)-2-iodoacetanilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24INO5
InChI InChI=1S/C22H24INO5/c1-4-14-22(20(26)28-5-2,21(27)29-6-3)15-10-11-16-24(19(25)17-23)18-12-8-7-9-13-18/h1,7-9,12-13H,5-6,14-17H2,2-3H3
InChIKey XMMPSENQRFXSJI-UHFFFAOYSA-N
Molecular Weight 509.340 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC#CCN(C(=O)CI)c1ccccc1)CC#C
SPLASH splash10-0006-6096150000-d2648a3739f76b28eb0d
Source of Spectrum F-52-11493-20
Synonyms Diethyl 2-{4-[(iodoacetyl)anilino]-2-butynyl}-2-(2-propynyl)malonate
Wiley ID 798372