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Ethyl 5-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chloro-3,3-dimethylpentanoate
SpectraBase Compound ID AvqcP87FgP9
InChI InChI=1S/C22H30ClNO4/c1-7-27-19(25)18(23)22(5,6)13-12-15-14-24(20(26)28-21(2,3)4)17-11-9-8-10-16(15)17/h8-11,14,18H,7,12-13H2,1-6H3
InChIKey GOPBAKDUARJHIX-UHFFFAOYSA-N
Mol Weight 407.94 g/mol
Molecular Formula C22H30ClNO4
Exact Mass 407.186336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQeWnsguMJ0
Name Ethyl 5-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chloro-3,3-dimethylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30ClNO4
InChI InChI=1S/C22H30ClNO4/c1-7-27-19(25)18(23)22(5,6)13-12-15-14-24(20(26)28-21(2,3)4)17-11-9-8-10-16(15)17/h8-11,14,18H,7,12-13H2,1-6H3
InChIKey GOPBAKDUARJHIX-UHFFFAOYSA-N
Molecular Weight 407.938 g/mol
SMILES C([n]1cc(CCC(C(C(=O)OCC)Cl)(C)C)c2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-053r-7901100000-ad458f362bcd5351579c
Source of Spectrum KC-1992-819-14
Synonyms tert-Butyl 3-(4-chloro-5-ethoxy-3,3-dimethyl-5-oxopentyl)-1H-indole-1-carboxylate
Wiley ID 776225