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4-Phenyl-2,6-di(pyrrolidine-1-carbonyl)-3,5-di(pyrrol-1-yl)dithieno[3',2':e:2,3-b]pyridine
SpectraBase Compound ID 85qQIs2KxcB
InChI InChI=1S/C33H29N5O2S2/c39-32(37-18-8-9-19-37)28-26(35-14-4-5-15-35)24-23(22-12-2-1-3-13-22)25-27(36-16-6-7-17-36)29(33(40)38-20-10-11-21-38)42-31(25)34-30(24)41-28/h1-7,12-17H,8-11,18-21H2
InChIKey ITSBWFHNHOYHBX-UHFFFAOYSA-N
Mol Weight 591.7 g/mol
Molecular Formula C33H29N5O2S2
Exact Mass 591.176268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2LdJ3v3CB8
Name 4-Phenyl-2,6-di(pyrrolidine-1-carbonyl)-3,5-di(pyrrol-1-yl)dithieno[3',2':e:2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H29N5O2S2
InChI InChI=1S/C33H29N5O2S2/c39-32(37-18-8-9-19-37)28-26(35-14-4-5-15-35)24-23(22-12-2-1-3-13-22)25-27(36-16-6-7-17-36)29(33(40)38-20-10-11-21-38)42-31(25)34-30(24)41-28/h1-7,12-17H,8-11,18-21H2
InChIKey ITSBWFHNHOYHBX-UHFFFAOYSA-N
Molecular Weight 591.748 g/mol
SMILES c1(c(c2c(c3c(-[n]4cccc4)c(sc3nc2s1)C(N1CCCC1)=O)-c1ccccc1)-[n]1cccc1)C(N1CCCC1)=O
SPLASH splash10-0f6x-0003490000-55ad28927b1d18068d90
Source of Spectrum H1-38-1304-12
Synonyms 4-Phenyl-2,6-bis(1-pyrrolidinylcarbonyl)-3,5-di(1H-pyrrol-1-yl)dithieno[2,3-b:3,2-e]pyridine
Wiley ID 756425