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Octane-1,8-dioic acid 1-propargylic ester 8-[3-(N-(2-iodophenyl)-N-phenylsulfonylamido)-2-methylenepropyl ester
SpectraBase Compound ID 8I81kl2Ub6d
InChI InChI=1S/C27H30INO6S/c1-3-19-34-26(30)17-9-4-5-10-18-27(31)35-21-22(2)20-29(25-16-12-11-15-24(25)28)36(32,33)23-13-7-6-8-14-23/h1,6-8,11-16H,2,4-5,9-10,17-21H2
InChIKey DOWVEGGDVYADIF-UHFFFAOYSA-N
Mol Weight 623.5 g/mol
Molecular Formula C27H30INO6S
Exact Mass 623.083854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sdPJkNx5J0
Name Octane-1,8-dioic acid 1-propargylic ester 8-[3-(N-(2-iodophenyl)-N-phenylsulfonylamido)-2-methylenepropyl ester
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Formula C27H30INO6S
InChI InChI=1S/C27H30INO6S/c1-3-19-34-26(30)17-9-4-5-10-18-27(31)35-21-22(2)20-29(25-16-12-11-15-24(25)28)36(32,33)23-13-7-6-8-14-23/h1,6-8,11-16H,2,4-5,9-10,17-21H2
InChIKey DOWVEGGDVYADIF-UHFFFAOYSA-N
Molecular Weight 623.502 g/mol
SMILES c1(N(S(=O)(=O)c2ccccc2)CC(=C)COC(=O)CCCCCCC(=O)OCC#C)c(I)cccc1
SPLASH splash10-0a5l-9310100000-b7338cd21fb61831ea12
Source of Spectrum F-56-7548-17
Wiley ID 858494