For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JupVC66I2km
Name 2-(4-Chloro-butyrylamino)-3-[4-(3-methyl-butyl)-1H-indol-3-yl]-propionic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29ClN2O3
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 392.927 g/mol
SMILES [nH]1c2c(c(CC(C(=O)OC)NC(=O)CCCCl)c1)c(ccc2)CCC(C)C
SPLASH splash10-0006-2920000000-3c224ddc863f5dc67304
Synonyms 2-(4-Chlorobutanoylamino)-3-(4-isoamyl-1H-indol-3-yl)propionic acid methyl ester Methyl 2-[(4-chlorobutanoyl)amino]-3-(4-isopentyl-1H-indol-3-yl)propanoate 2-[(4-chloro-1-oxobutyl)amino]-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid methyl ester Methyl 2-(4-chlorobutanoylamino)-3-(4-isopentyl-1H-indol-3-yl)propanoate Methyl 2-(4-chlorobutanoylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoate Methyl 2-(4-chloranylbutanoylamino)-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoate
Wiley ID 1487679