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2-(4-Chloro-butyrylamino)-3-[4-(3-methyl-butyl)-1H-indol-3-yl]-propionic acid, methyl ester
SpectraBase Compound ID hRluPdPOA1
InChI InChI=1S/C21H29ClN2O3/c1-14(2)9-10-15-6-4-7-17-20(15)16(13-23-17)12-18(21(26)27-3)24-19(25)8-5-11-22/h4,6-7,13-14,18,23H,5,8-12H2,1-3H3,(H,24,25)
InChIKey ZIXYQLULXSYNRF-UHFFFAOYSA-N
Mol Weight 392.93 g/mol
Molecular Formula C21H29ClN2O3
Exact Mass 392.18667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfYtvmczn1p
Name 2-(4-CHLOROBUTYRYLAMINO)-3-[4-(3-METHYL-BUTYL)-1H-INDOL-3-YL]-PROPIONIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H29N2O3Cl
InChI InChI=1S/C21H29ClN2O3/c1-14(2)9-10-15-6-4-7-17-20(15)16(13-23-17)12-18(21(26)27-3)24-19(25)8-5-11-22/h4,6-7,13-14,18,23H,5,8-12H2,1-3H3,(H,24,25)
InChIKey ZIXYQLULXSYNRF-UHFFFAOYSA-N
Molecular Weight 392.1860
SMILES [nH]1c2c(c(CC(NC(CCCCl)=O)C(OC)=O)c1)c(ccc2)CCC(C)C
SPLASH splash10-0006-2920000000-2fffe5eee39ef684f2a8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany