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1H-Indol-6-ol, 3-(bromomethyl)-2,3-dihydro-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, (.+-.)-
SpectraBase Compound ID 717DKwNMTiL
InChI InChI=1S/C21H21BrN2O5/c1-27-17-7-11-6-15(23-18(11)20(29-3)19(17)28-2)21(26)24-10-12(9-22)14-5-4-13(25)8-16(14)24/h4-8,12,23,25H,9-10H2,1-3H3
InChIKey WWQCOOSKTSSMNI-UHFFFAOYSA-N
Mol Weight 461.31 g/mol
Molecular Formula C21H21BrN2O5
Exact Mass 460.063385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wIH8ti2CeW
Name 1H-Indol-6-ol, 3-(bromomethyl)-2,3-dihydro-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-, (.+-.)-
Alternate Name(s) 3-(bromomethyl)-1-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-6-indolinol 3-(bromomethyl)-6-hydroxy-1-[(5,6,7-trimethoxyindol-2-yl)-carbonyl]indoline
CAS Registry Number 130469-58-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H21BrN2O5
InChI InChI=1S/C21H21BrN2O5/c1-27-17-7-11-6-15(23-18(11)20(29-3)19(17)28-2)21(26)24-10-12(9-22)14-5-4-13(25)8-16(14)24/h4-8,12,23,25H,9-10H2,1-3H3
InChIKey WWQCOOSKTSSMNI-UHFFFAOYSA-N
Molecular Weight 461.312 g/mol
SMILES Oc1ccc2c(N(C(c3[nH]c4c(c(c(cc4c3)OC)OC)OC)=O)CC2CBr)c1
SPLASH splash10-001i-0090300000-ed2951d25f211fd0d5be
Source of Spectrum C-112-8970-8
Wiley ID 1390408