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(+-)-1-[[N-[2'-(3',4'-Dimethoxyphenyl)ethyl]amino]methyl]-4-(p-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
SpectraBase Compound ID G9WQxPF4xUJ
InChI InChI=1S/C29H30N2O3S/c1-32-23-12-9-21(10-13-23)29-25-14-11-22(31(25)24-6-4-5-7-28(24)35-29)19-30-17-16-20-8-15-26(33-2)27(18-20)34-3/h4-15,18,29-30H,16-17,19H2,1-3H3
InChIKey FUMZQPBWMHAUOB-UHFFFAOYSA-N
Mol Weight 486.63 g/mol
Molecular Formula C29H30N2O3S
Exact Mass 486.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JecNx3ea2Im
Name (+-)-1-[[N-[2'-(3',4'-Dimethoxyphenyl)ethyl]amino]methyl]-4-(p-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
Comments Less than 3 mono-isotopic peaks
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Formula C29H30N2O3S
InChI InChI=1S/C29H30N2O3S/c1-32-23-12-9-21(10-13-23)29-25-14-11-22(31(25)24-6-4-5-7-28(24)35-29)19-30-17-16-20-8-15-26(33-2)27(18-20)34-3/h4-15,18,29-30H,16-17,19H2,1-3H3
InChIKey FUMZQPBWMHAUOB-UHFFFAOYSA-N
Molecular Weight 486.630 g/mol
SMILES N(Cc1[n]-2c(C(Sc3ccccc23)c2ccc(cc2)OC)cc1)CCc1cc(OC)c(cc1)OC
SPLASH splash10-0a4i-0009400000-a1cfc00cbff1ee46cf58
Source of Spectrum E1-38-4405-11
Synonyms 2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl}ethanamine N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl}amine 2-(3,4-dimethoxyphenyl)-N-[[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl]ethanamine
Wiley ID 1598530