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7-ethyl-9-(3,4-dimethoxybenzyl-idene)-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyramidines
SpectraBase Compound ID 5Am6C9FevSH
InChI InChI=1S/C28H31N3O4S/c1-6-30-16-20(13-18-7-9-22(32-2)24(14-18)34-4)26-21(17-30)27(31-11-12-36-28(31)29-26)19-8-10-23(33-3)25(15-19)35-5/h7-15,27H,6,16-17H2,1-5H3/b20-13+
InChIKey XRLXAIBHEHFVBX-DEDYPNTBSA-N
Mol Weight 505.63 g/mol
Molecular Formula C28H31N3O4S
Exact Mass 505.203528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRcJNctUWWf
Name 7-ethyl-9-(3,4-dimethoxybenzyl-idene)-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyramidines
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O4S
InChI InChI=1S/C28H31N3O4S/c1-6-30-16-20(13-18-7-9-22(32-2)24(14-18)34-4)26-21(17-30)27(31-11-12-36-28(31)29-26)19-8-10-23(33-3)25(15-19)35-5/h7-15,27H,6,16-17H2,1-5H3/b20-13+
InChIKey XRLXAIBHEHFVBX-DEDYPNTBSA-N
Molecular Weight 505.633 g/mol
SMILES C12=C(N=C3N(C2c2cc(c(OC)cc2)OC)C=CS3)\C(=C\c2cc(OC)c(cc2)OC)CN(C1)CC
SPLASH splash10-0a4i-0000090000-fd479ae605fb3cedd167
Source of Spectrum F2-47-71-40
Wiley ID 1715010