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1,1-Dimethylethyl 1-[1-(thiophen-2-yl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
SpectraBase Compound ID 18VqCDzLN2F
InChI InChI=1S/C26H26N2O2S/c1-26(2,3)30-25(29)27-15-14-18-9-4-5-10-19(18)24(27)21-17-28(23-13-8-16-31-23)22-12-7-6-11-20(21)22/h4-13,16-17,24H,14-15H2,1-3H3
InChIKey BEBRKTAKIAMGLE-UHFFFAOYSA-N
Mol Weight 430.57 g/mol
Molecular Formula C26H26N2O2S
Exact Mass 430.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN1FsuxOAc6
Name 1,1-Dimethylethyl 1-[1-(thiophen-2-yl)-1H-indol-3-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate
Appearance Colorless solid
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Formula C26H26N2O2S
InChI InChI=1S/C26H26N2O2S/c1-26(2,3)30-25(29)27-15-14-18-9-4-5-10-19(18)24(27)21-17-28(23-13-8-16-31-23)22-12-7-6-11-20(21)22/h4-13,16-17,24H,14-15H2,1-3H3
InChIKey BEBRKTAKIAMGLE-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.10.226
Molecular Weight 430.566 g/mol
Reported Formula C26H26N2O2S
SMILES c1cc2c(cc1)C(N(CC2)C(OC(C)(C)C)=O)c1c[n](c2c1cccc2)-c1cccs1
SPLASH splash10-001i-0915000000-5227fa8905fec17cb32e
Source of Spectrum BJO-10-SM10-7c
Thin-Layer Chromatography Rf = 0.53 (PE/EtOAc, 5:1)
Wiley ID 1854010