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Ethyl 6-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chlorohexanoate
SpectraBase Compound ID BCTrPxJrggy
InChI InChI=1S/C21H28ClNO4/c1-5-26-19(24)17(22)12-8-6-10-15-14-23(20(25)27-21(2,3)4)18-13-9-7-11-16(15)18/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3
InChIKey SNLXQYGGFYUQKM-UHFFFAOYSA-N
Mol Weight 393.91 g/mol
Molecular Formula C21H28ClNO4
Exact Mass 393.170686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWIkJaddHFv
Name Ethyl 6-[1'-(tert-butoxycarbonyl)indol-3'-yl]-2-chlorohexanoate
Alternate Name(s) tert-Butyl 3-(5-chloro-6-ethoxy-6-oxohexyl)-1H-indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28ClNO4
InChI InChI=1S/C21H28ClNO4/c1-5-26-19(24)17(22)12-8-6-10-15-14-23(20(25)27-21(2,3)4)18-13-9-7-11-16(15)18/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3
InChIKey SNLXQYGGFYUQKM-UHFFFAOYSA-N
Molecular Weight 393.911 g/mol
SMILES C([n]1cc(CCCCC(C(=O)OCC)Cl)c2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-053r-5910000000-246abd79228d13306602
Source of Spectrum KC-1992-818-14
Wiley ID 776231