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Benzyl 9-(Phenylsulfonyl).beta.-carboline-2-carboxylate
SpectraBase Compound ID IOs6XDcxl00
InChI InChI=1S/C25H22N2O4S/c28-25(31-18-19-9-3-1-4-10-19)26-16-15-22-21-13-7-8-14-23(21)27(24(22)17-26)32(29,30)20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKey ASOUZAUDRUHRKY-UHFFFAOYSA-N
Mol Weight 446.52 g/mol
Molecular Formula C25H22N2O4S
Exact Mass 446.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EczpMsylEtu
Name Benzyl 9-(Phenylsulfonyl).beta.-carboline-2-carboxylate
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Formula C25H22N2O4S
InChI InChI=1S/C25H22N2O4S/c28-25(31-18-19-9-3-1-4-10-19)26-16-15-22-21-13-7-8-14-23(21)27(24(22)17-26)32(29,30)20-11-5-2-6-12-20/h1-14H,15-18H2
InChIKey ASOUZAUDRUHRKY-UHFFFAOYSA-N
Molecular Weight 446.521 g/mol
SMILES c1(S([n]2c3c(CCN(C3)C(OCc3ccccc3)=O)c3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-0a4i-0039000000-efa91065f23e40417306
Source of Spectrum J-63-862-13
Synonyms 9-Benzenesulfonyl-1,3,4,9-tetrahydro-.beta.-carboline-2-carboxylic acid benzyl ester 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid (phenylmethyl) ester benzyl 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate (phenylmethyl) 9-(phenylsulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
Wiley ID 1386636