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Benzoic acid, 2-methyl-, 2-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]ethyl ester
SpectraBase Compound ID 4GDnzTZqDyW
InChI InChI=1S/C26H22N4O4S/c1-17-9-5-6-12-19(17)26(31)34-16-15-30-24(27)23(35(32,33)18-10-3-2-4-11-18)22-25(30)29-21-14-8-7-13-20(21)28-22/h2-14H,15-16,27H2,1H3
InChIKey VDPMXZIVGBPTDW-UHFFFAOYSA-N
Mol Weight 486.55 g/mol
Molecular Formula C26H22N4O4S
Exact Mass 486.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArKOTlONuFB
Name Benzoic acid, 2-methyl-, 2-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4O4S
InChI InChI=1S/C26H22N4O4S/c1-17-9-5-6-12-19(17)26(31)34-16-15-30-24(27)23(35(32,33)18-10-3-2-4-11-18)22-25(30)29-21-14-8-7-13-20(21)28-22/h2-14H,15-16,27H2,1H3
InChIKey VDPMXZIVGBPTDW-UHFFFAOYSA-N
Molecular Weight 486.546 g/mol
SMILES Nc1c(c2c(nc3c(n2)cccc3)[n]1CCOC(c1c(C)cccc1)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-014i-6900000000-43860afb7ba063620cfb
Source of Spectrum IY-1-4677-5
Synonyms 2-Methylbenzoic acid 2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl ester 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-methylbenzoate 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 2-methylbenzoate
Wiley ID 1654758