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1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-7-[N'-(prop-2-ynyl)]heptanesulfonamide
SpectraBase Compound ID I32HYnusBsp
InChI InChI=1S/C26H31IN2O3S/c1-4-19-28(33(31,32)23-15-9-8-10-16-23)20-13-6-5-7-14-21-29(26(30)22(2)3)25-18-12-11-17-24(25)27/h1,8-12,15-18H,2,5-7,13-14,19-21H2,3H3
InChIKey DLZMIDPEMWUNQO-UHFFFAOYSA-N
Mol Weight 578.51 g/mol
Molecular Formula C26H31IN2O3S
Exact Mass 578.110009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gpcSPB9vGX
Name 1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-7-[N'-(prop-2-ynyl)]heptanesulfonamide
Alternate Name(s) N-[7-(Benzenesulfonyl-prop-2-ynyl-amino)-heptyl]-N-(2-iodo-phenyl)-2-methyl-acrylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31IN2O3S
InChI InChI=1S/C26H31IN2O3S/c1-4-19-28(33(31,32)23-15-9-8-10-16-23)20-13-6-5-7-14-21-29(26(30)22(2)3)25-18-12-11-17-24(25)27/h1,8-12,15-18H,2,5-7,13-14,19-21H2,3H3
InChIKey DLZMIDPEMWUNQO-UHFFFAOYSA-N
Molecular Weight 578.509 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)CCCCCCCN(C(C(=C)C)=O)c1c(I)cccc1)C#C
SPLASH splash10-0udi-0000900000-539d19ffb5c3a022f380
Source of Spectrum F-56-7550-21
Wiley ID 858699