(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-(1-pyrrolidinylcarbonyl)-2-propenenitrile

SpectraBase Compound ID	1baINdfBCln
InChI	InChI=1S/C28H31N3O2/c1-28(2,3)23-10-12-24(13-11-23)33-17-16-31-20-22(25-8-4-5-9-26(25)31)18-21(19-29)27(32)30-14-6-7-15-30/h4-5,8-13,18,20H,6-7,14-17H2,1-3H3/b21-18+
InChIKey	GSXUZUUNWICLQB-DYTRJAOYSA-N Google Search
Mol Weight	441.58 g/mol
Molecular Formula	C28H31N3O2
Exact Mass	441.241627 g/mol

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SpectraBase Spectrum ID	ELPfjTRhexB
Name	(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-(1-pyrrolidinylcarbonyl)-2-propenenitrile
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H31N3O2/c1-28(2,3)23-10-12-24(13-11-23)33-17-16-31-20-22(25-8-4-5-9-26(25)31)18-21(19-29)27(32)30-14-6-7-15-30/h4-5,8-13,18,20H,6-7,14-17H2,1-3H3/b21-18+
InChIKey	GSXUZUUNWICLQB-DYTRJAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2755
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 9312911; UBI_ID: UBI-002756
Synonyms	3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-(1-pyrrolidinylcarbonyl)-2-propenenitrile
Temperature	318 °C