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3-Benzyloxycarbonyl-4-chloro-7-methyl-2-ethoxycarbonylmethyl-3H-indole
SpectraBase Compound ID 2ENljxxbDuT
InChI InChI=1S/C21H20ClNO4/c1-3-26-17(24)12-16-21(19-15(22)10-9-13(2)20(19)23-16)27-18(25)11-14-7-5-4-6-8-14/h4-10,21H,3,11-12H2,1-2H3
InChIKey GKIWPDHKVVIAIL-UHFFFAOYSA-N
Mol Weight 385.85 g/mol
Molecular Formula C21H20ClNO4
Exact Mass 385.108086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFROZK84Xxw
Name 3-Benzyloxycarbonyl-4-chloro-7-methyl-2-ethoxycarbonylmethyl-3H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClNO4
InChI InChI=1S/C21H20ClNO4/c1-3-26-17(24)12-16-21(19-15(22)10-9-13(2)20(19)23-16)27-18(25)11-14-7-5-4-6-8-14/h4-10,21H,3,11-12H2,1-2H3
InChIKey GKIWPDHKVVIAIL-UHFFFAOYSA-N
Molecular Weight 385.847 g/mol
SMILES c12N=C(C(c2c(Cl)ccc1C)OC(=O)Cc1ccccc1)CC(=O)OCC
SPLASH splash10-014i-3941000000-2613cec91d07803df2ae
Source of Spectrum H1-48-2316-6
Synonyms 3-Benzylcarbonyloxy-4-chloro-7-methyl-2-ethoxycarbonylmethyl-3H-indole benzyl 4-chloro-2-(2-ethoxy-2-oxoethyl)-7-methyl-3H-indole-3-carboxylate
Wiley ID 816629