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O-Iodobenzyl N-(phenylsulfonyl)-N-(1,2-propadienyl)aminoundecyl ether
SpectraBase Compound ID 1PGddlgKgMA
InChI InChI=1S/C27H36INO3S/c1-2-21-29(33(30,31)26-18-11-10-12-19-26)22-15-8-6-4-3-5-7-9-16-23-32-24-25-17-13-14-20-27(25)28/h10-14,17-21H,1,3-9,15-16,22-24H2
InChIKey BPXAQZIEEUXCIS-UHFFFAOYSA-N
Mol Weight 581.6 g/mol
Molecular Formula C27H36INO3S
Exact Mass 581.14606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Devq9k0NX5
Name O-Iodobenzyl N-(phenylsulfonyl)-N-(1,2-propadienyl)aminoundecyl ether
Alternate Name(s) N-{11-[(2-iodobenzyl)oxy]undecyl}-N-(1,2-propadienyl)benzenesulfonamide
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Formula C27H36INO3S
InChI InChI=1S/C27H36INO3S/c1-2-21-29(33(30,31)26-18-11-10-12-19-26)22-15-8-6-4-3-5-7-9-16-23-32-24-25-17-13-14-20-27(25)28/h10-14,17-21H,1,3-9,15-16,22-24H2
InChIKey BPXAQZIEEUXCIS-UHFFFAOYSA-N
Molecular Weight 581.553 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)CCCCCCCCCCCOCc1c(I)cccc1)=C=C
SPLASH splash10-05ox-9210000000-bfbeb095a0990243399c
Source of Spectrum F-52-13450-6
Wiley ID 799166