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2-Formylamino-2-[4-(3-methylbutyl)-1H-indol-3-ylmethyl]malonic acid, diethyl ester
SpectraBase Compound ID L6tA91u9dqx
InChI InChI=1S/C22H30N2O5/c1-5-28-20(26)22(24-14-25,21(27)29-6-2)12-17-13-23-18-9-7-8-16(19(17)18)11-10-15(3)4/h7-9,13-15,23H,5-6,10-12H2,1-4H3,(H,24,25)
InChIKey VRUKEQHEMPOJIE-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C22H30N2O5
Exact Mass 402.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhqgJzkILY5
Name 2-FORMYLAMINO-2-[4-(3-METHYL-BUTYL)-1H-INDOL-3-YLMETHYL]MALONIC ACID ,DIETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H30N2O5
InChI InChI=1S/C22H30N2O5/c1-5-28-20(26)22(24-14-25,21(27)29-6-2)12-17-13-23-18-9-7-8-16(19(17)18)11-10-15(3)4/h7-9,13-15,23H,5-6,10-12H2,1-4H3,(H,24,25)
InChIKey VRUKEQHEMPOJIE-UHFFFAOYSA-N
Molecular Weight 402.2147
SMILES N(C(Cc1c[nH]c2cccc(c12)CCC(C)C)(C(OCC)=O)C(OCC)=O)C=O
SPLASH splash10-0udl-1950000000-4b5420de2885550363eb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany