For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(+-)-1-[[N-[2-(3',4'-Dimethoxyphenyl)ethyl]-N-methylamino]methyl]-4-(p-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
SpectraBase Compound ID 7DaF2ChQqYi
InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
InChIKey KIYASJXFIUZQLU-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C30H32N2O3S
Exact Mass 500.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2RQOsSghLAi
Name (+-)-1-[[N-[2-(3',4'-Dimethoxyphenyl)ethyl]-N-methylamino]methyl]-4-(p-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N2O3S
InChI InChI=1S/C30H32N2O3S/c1-31(18-17-21-9-16-27(34-3)28(19-21)35-4)20-23-12-15-26-30(22-10-13-24(33-2)14-11-22)36-29-8-6-5-7-25(29)32(23)26/h5-16,19,30H,17-18,20H2,1-4H3
InChIKey KIYASJXFIUZQLU-UHFFFAOYSA-N
Molecular Weight 500.657 g/mol
SMILES c12[n](-c3c(SC2c2ccc(cc2)OC)cccc3)c(cc1)CN(CCc1cc(OC)c(cc1)OC)C
SPLASH splash10-0a4i-0009000000-630393fcffbb148c7ad6
Source of Spectrum E1-38-4405-10
Synonyms 2-(3,4-dimethoxyphenyl)-N-{[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl}-N-methylethanamine N-[2-(3,4-dimethoxyphenyl)ethyl]-N-{[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl}-N-methylamine 2-(3,4-dimethoxyphenyl)-N-[[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl]-N-methylethanamine 2-(3,4-dimethoxyphenyl)-N-[[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl]methyl]-N-methyl-ethanamine
Wiley ID 1598533