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2-[(7-tosyloxy-1H-indol-2-yl)methylamino]acetic acid ethyl ester
SpectraBase Compound ID 6miEcYRJbRj
InChI InChI=1S/C20H22N2O5S/c1-3-26-19(23)13-21-12-16-11-15-5-4-6-18(20(15)22-16)27-28(24,25)17-9-7-14(2)8-10-17/h4-11,21-22H,3,12-13H2,1-2H3
InChIKey IYZSQQFYNZKBMU-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32jLRlNYr87
Name 2-[(7-tosyloxy-1H-indol-2-yl)methylamino]acetic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H22N2O5S
InChI InChI=1S/C20H22N2O5S/c1-3-26-19(23)13-21-12-16-11-15-5-4-6-18(20(15)22-16)27-28(24,25)17-9-7-14(2)8-10-17/h4-11,21-22H,3,12-13H2,1-2H3
InChIKey IYZSQQFYNZKBMU-UHFFFAOYSA-N
Molecular Weight 402.465 g/mol
SMILES [nH]1c(CNCC(=O)OCC)cc2c1c(OS(c1ccc(cc1)C)(=O)=O)ccc2
SPLASH splash10-0gb9-0009500000-36818ccf12a317955a77
Source of Spectrum KC-0-1720-11
Synonyms 2-[[7-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]methylamino]acetic acid ethyl ester ethyl 2-[[7-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]methylamino]acetate ethyl 2-[[7-(4-methylphenyl)sulfonyloxy-1H-indol-2-yl]methylamino]ethanoate ethyl 2-[[7-(p-tolylsulfonyloxy)-1H-indol-2-yl]methylamino]acetate
Wiley ID 828481