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Methyl 12-oxo-12-[1'-(phenylsulfonyl)-1H-pyrrol-3'-yl]-dodecanoate
SpectraBase Compound ID L5IoyHJYJ00
InChI InChI=1S/C23H31NO5S/c1-29-23(26)16-12-7-5-3-2-4-6-11-15-22(25)20-17-18-24(19-20)30(27,28)21-13-9-8-10-14-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3
InChIKey QERRACRWRAPHQP-UHFFFAOYSA-N
Mol Weight 433.56 g/mol
Molecular Formula C23H31NO5S
Exact Mass 433.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZP0qNxcmNs
Name Methyl 12-oxo-12-[1'-(phenylsulfonyl)-1H-pyrrol-3'-yl]-dodecanoate
Alternate Name(s) Methyl 12-oxo-12-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]dodecanoate
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Formula C23H31NO5S
InChI InChI=1S/C23H31NO5S/c1-29-23(26)16-12-7-5-3-2-4-6-11-15-22(25)20-17-18-24(19-20)30(27,28)21-13-9-8-10-14-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3
InChIKey QERRACRWRAPHQP-UHFFFAOYSA-N
Molecular Weight 433.563 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(=O)CCCCCCCCCCC(=O)OC
SPLASH splash10-002e-6190000000-4fa31e17effb67c86696
Source of Spectrum C-88-2475-5
Wiley ID 1590377