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(2-hexanoyl-1H-indol-3-yl)acetic acid
SpectraBase Compound ID 6NrYJsleQc1
InChI InChI=1S/C16H19NO3/c1-2-3-4-9-14(18)16-12(10-15(19)20)11-7-5-6-8-13(11)17-16/h5-8,17H,2-4,9-10H2,1H3,(H,19,20)
InChIKey HRDDJVACOSYBQP-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PKcFzfR4KP
Name (2-hexanoyl-1H-indol-3-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-2-3-4-9-14(18)16-12(10-15(19)20)11-7-5-6-8-13(11)17-16/h5-8,17H,2-4,9-10H2,1H3,(H,19,20)
InChIKey HRDDJVACOSYBQP-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES [nH]1c2c(c(CC(=O)O)c1C(=O)CCCCC)cccc2
SPLASH splash10-05fr-0960000000-53bfc4025c0ad3e3a036
Source of Spectrum F-49-447-14
Synonyms 2-(2-caproyl-1H-indol-3-yl)acetic acid 2-(2-hexanoyl-1H-indol-3-yl)acetic acid 2-(2-hexanoyl-1H-indol-3-yl)ethanoic acid 2-[2-(1-oxohexyl)-1H-indol-3-yl]acetic acid
Wiley ID 1277340