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2-FORMYL-3-(1-TERT.-BUTOXYCARBONYL)-PYRROLE-1-TOSYLPYRROLE
SpectraBase Compound ID JgzDWQpU4oG
InChI InChI=1S/C21H22N2O5S/c1-15-7-9-16(10-8-15)29(26,27)23-13-11-17(19(23)14-24)18-6-5-12-22(18)20(25)28-21(2,3)4/h5-14H,1-4H3
InChIKey CFBWMUYBDCSVPQ-UHFFFAOYSA-N
Mol Weight 414.48 g/mol
Molecular Formula C21H22N2O5S
Exact Mass 414.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXJTn79Ctzl
Name 3-[1'-(t-Butoxycarbonyl)pyrrol-2-yl]-2-formyl-1-tosylpyrrole
Alternate Name(s) 2'-Formyl-1'-(toluene-4-sulfonyl)-1'H-[2,3']bipyrrolyl-1-carboxylic acid tert-butyl ester 3-[1'-(t-Butoxycarbonyl)pyrrolyl]-2-formyl-1-tosylpyrrole tert-Butyl 2-{2-formyl-1-[(4-methylbenzene)sulfonyl]-1H-pyrrol-3-yl}-1H-pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O5S
InChI InChI=1S/C21H22N2O5S/c1-15-7-9-16(10-8-15)29(26,27)23-13-11-17(19(23)14-24)18-6-5-12-22(18)20(25)28-21(2,3)4/h5-14H,1-4H3
InChIKey CFBWMUYBDCSVPQ-UHFFFAOYSA-N
Molecular Weight 414.476 g/mol
SMILES c1([n](S(c2ccc(cc2)C)(=O)=O)ccc1-c1[n](C(OC(C)(C)C)=O)ccc1)C=O
SPLASH splash10-08fr-0809800000-387adad36122d6d3a057
Source of Spectrum I-79-1837-13
Wiley ID 812988