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(3R/S)-3-CHLOROMETHYL-6-HYDROXY-1-(5',6',7'-TRIMETHOXY-INDOL-2'-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOLE
SpectraBase Compound ID 8sqPsM7uOyp
InChI InChI=1S/C21H21ClN2O5/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 KFMLAUJMEDHHPN-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r78eKoUvsn
Name [3-(chloromethyl)-6-hydroxy-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CAS Registry Number 130469-59-9
Comments Less than 3 mono-isotopic peaks
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Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/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 KFMLAUJMEDHHPN-UHFFFAOYSA-N
Molecular Weight 416.861 g/mol
SMILES Oc1ccc2c(N(C(c3[nH]c4c(c(c(cc4c3)OC)OC)OC)=O)CC2CCl)c1
SPLASH splash10-001i-0090300000-ceb820d059ccde853922
Source of Spectrum C-112-8970-9
Synonyms [3-(chloromethyl)-6-hydroxy-indolin-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone [3-(chloromethyl)-6-oxidanyl-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Wiley ID 1376268