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7-ethyl-3-methyl-9-(4-methoxybenzyl-idene)-5-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyramidines
SpectraBase Compound ID 9ubL8hiwLEi
InChI InChI=1S/C27H29N3O2S/c1-5-29-15-21(14-19-6-10-22(31-3)11-7-19)25-24(16-29)26(20-8-12-23(32-4)13-9-20)30-18(2)17-33-27(30)28-25/h6-14,17,26H,5,15-16H2,1-4H3/b21-14+
InChIKey XEZFQVHMYSSNPU-KGENOOAVSA-N
Mol Weight 459.61 g/mol
Molecular Formula C27H29N3O2S
Exact Mass 459.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdztwNmAaH4
Name 7-ethyl-3-methyl-9-(4-methoxybenzyl-idene)-5-(4-methoxyphenyl)-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 C27H29N3O2S
InChI InChI=1S/C27H29N3O2S/c1-5-29-15-21(14-19-6-10-22(31-3)11-7-19)25-24(16-29)26(20-8-12-23(32-4)13-9-20)30-18(2)17-33-27(30)28-25/h6-14,17,26H,5,15-16H2,1-4H3/b21-14+
InChIKey XEZFQVHMYSSNPU-KGENOOAVSA-N
Molecular Weight 459.608 g/mol
SMILES C12=C(N=C3SC=C(N3C2c2ccc(cc2)OC)C)\C(=C\c2ccc(cc2)OC)CN(C1)CC
SPLASH splash10-0a4i-0000900000-29ca5aa3e809efbe02cb
Source of Spectrum F2-47-71-39
Wiley ID 1706182