(2E)-2-butenedioic acid compound with 2-(3,4-dimethoxyphenyl)-5-{[2-(1H-indol-3-yl)ethyl]amino}-2-isopropylpentanenitrile (1:1)

SpectraBase Compound ID	3RnC9RRW3kk
InChI	InChI=1S/C26H33N3O2.C4H4O4/c1-19(2)26(18-27,21-10-11-24(30-3)25(16-21)31-4)13-7-14-28-15-12-20-17-29-23-9-6-5-8-22(20)23;5-3(6)1-2-4(7)8/h5-6,8-11,16-17,19,28-29H,7,12-15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	GTGKIJTXVRVYIS-WLHGVMLRSA-N Google Search
Mol Weight	535.6 g/mol
Molecular Formula	C30H37N3O6
Exact Mass	535.268236 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	J20y7epggX0
Name	(2E)-2-butenedioic acid compound with 2-(3,4-dimethoxyphenyl)-5-{[2-(1H-indol-3-yl)ethyl]amino}-2-isopropylpentanenitrile (1:1)
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/C26H33N3O2.C4H4O4/c1-19(2)26(18-27,21-10-11-24(30-3)25(16-21)31-4)13-7-14-28-15-12-20-17-29-23-9-6-5-8-22(20)23;5-3(6)1-2-4(7)8/h5-6,8-11,16-17,19,28-29H,7,12-15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	GTGKIJTXVRVYIS-WLHGVMLRSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14772
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: 987/00000543; Labnumber: 987/00000543218805; VK_ID: VK-014777
Synonyms	2-butenedioic acid compound with 2-(3,4-dimethoxyphenyl)-5-{[2-(1H-indol-3-yl)ethyl]amino}-2-isopropylpentanenitrile (1:1)
Temperature	308 °C