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Methyl 8-[1'-(p-methylphenyl)sulfonyl]hydrazono-8-[1"-(phenylsulfonyl)-1H-pyrrol-3''-yl]-octanoate
SpectraBase Compound ID 1XQFEWPCEmL
InChI InChI=1S/C26H31N3O6S2/c1-21-14-16-23(17-15-21)36(31,32)28-27-25(12-8-3-4-9-13-26(30)35-2)22-18-19-29(20-22)37(33,34)24-10-6-5-7-11-24/h5-7,10-11,14-20,25H,3-4,8-9,12-13H2,1-2H3/b28-27+
InChIKey XBELWWLVAHYCBP-BYYHNAKLSA-N
Mol Weight 545.67 g/mol
Molecular Formula C26H31N3O6S2
Exact Mass 545.165428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JASoDZH1dcR
Name Methyl 8-[1'-(p-methylphenyl)sulfonyl]hydrazono-8-[1"-(phenylsulfonyl)-1H-pyrrol-3''-yl]-octanoate
Alternate Name(s) Methyl 8-{(E)-[(4-methylphenyl)sulfonyl]diazenyl}-8-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31N3O6S2
InChI InChI=1S/C26H31N3O6S2/c1-21-14-16-23(17-15-21)36(31,32)28-27-25(12-8-3-4-9-13-26(30)35-2)22-18-19-29(20-22)37(33,34)24-10-6-5-7-11-24/h5-7,10-11,14-20,25H,3-4,8-9,12-13H2,1-2H3/b28-27+
InChIKey XBELWWLVAHYCBP-BYYHNAKLSA-N
Molecular Weight 545.669 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(\N=N\S(c1ccc(cc1)C)(=O)=O)CCCCCCC(=O)OC
SPLASH splash10-002f-9331000000-0d304e3646c4b6745f5a
Source of Spectrum C-88-2476-6
Wiley ID 1590376