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N-[9'-(1"-Piperidinyl)-5'-bis(ethoxycarbonyl)nona-2',7'-diynyl)-2-iodoacetanilide
SpectraBase Compound ID 1WHCUPizAor
InChI InChI=1S/C28H35IN2O5/c1-4-35-26(33)28(27(34)36-5-2,17-9-13-21-30-19-11-6-12-20-30)18-10-14-22-31(23(3)32)25-16-8-7-15-24(25)29/h7-8,15-16H,4-6,11-12,17-22H2,1-3H3
InChIKey VUQDTOYMBBCTAQ-UHFFFAOYSA-N
Mol Weight 606.5 g/mol
Molecular Formula C28H35IN2O5
Exact Mass 606.159067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SJzzzNcsS
Name N-[9'-(1"-Piperidinyl)-5'-bis(ethoxycarbonyl)nona-2',7'-diynyl)-2-iodoacetanilide
Alternate Name(s) Diethyl 2-[4-(acetyl-2-iodoanilino)-2-butynyl]-2-[4-(1-piperidinyl)-2-butynyl]malonate N-[9'-(1''-Piperidinyl)nona-2',7'-diynyl)-2-iodoacetanilide N-[9'-(1''-Piperidinyl)-5'-bis(ethoxycarbonyl)nona-2',7'-diynyl)-2-iodoacetanilide
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Formula C28H35IN2O5
InChI InChI=1S/C28H35IN2O5/c1-4-35-26(33)28(27(34)36-5-2,17-9-13-21-30-19-11-6-12-20-30)18-10-14-22-31(23(3)32)25-16-8-7-15-24(25)29/h7-8,15-16H,4-6,11-12,17-22H2,1-3H3
InChIKey VUQDTOYMBBCTAQ-UHFFFAOYSA-N
Molecular Weight 606.501 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC#CCN1CCCCC1)CC#CCN(c1c(I)cccc1)C(=O)C
SPLASH splash10-0016-9586020000-a121bef155133655819a
Source of Spectrum F-52-11493-23
Wiley ID 798371