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1H-Indole-2-carboxylic acid, 3-[2-(4a-ethylhexahydro-2,7-dioxo-2H-pyrano[2,3-b]pyridin-8(5H)-yl)et hyl]-, methyl ester
SpectraBase Compound ID 3BYjdMUWwuw
InChI InChI=1S/C22H26N2O5/c1-3-22-11-8-17(25)24(21(22)29-18(26)9-12-22)13-10-15-14-6-4-5-7-16(14)23-19(15)20(27)28-2/h4-7,21,23H,3,8-13H2,1-2H3
InChIKey ABTNOXCYHBROAI-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BobeR7UVgJz
Name 1H-Indole-2-carboxylic acid, 3-[2-(4a-ethylhexahydro-2,7-dioxo-2H-pyrano[2,3-b]pyridin-8(5H)-yl)et hyl]-, methyl ester
CAS Registry Number 77785-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-3-22-11-8-17(25)24(21(22)29-18(26)9-12-22)13-10-15-14-6-4-5-7-16(14)23-19(15)20(27)28-2/h4-7,21,23H,3,8-13H2,1-2H3
InChIKey ABTNOXCYHBROAI-UHFFFAOYSA-N
Molecular Weight 398.459 g/mol
SMILES [nH]1c2c(c(c1C(=O)OC)CCN1C3OC(=O)CCC3(CC)CCC1=O)cccc2
SPLASH splash10-0udi-0390000000-08c52468659ce80d7aa7
Source of Spectrum K-114-1482-0
Synonyms 2H-pyrano[2,3-b]pyridine, 1H-indole-2-carboxylic acid deriv. Methyl 3-[2-(4a-ethyl-2,7-dioxohexahydro-2H-pyrano[2,3-b]pyridin-8(5H)-yl)ethyl]-1H-indole-2-carboxylate Methyl 3-{2-[octahydro-2,7-dioxo-2H-pyrano[2,3-b]pyridine-8-yl]ethyl}-2-indolecarboxylate
Wiley ID 1368415