For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[1-(3-Oxobutyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]octan-2-one
SpectraBase Compound ID F85Rl1vGE3k
InChI InChI=1S/C19H26N2O2/c1-4-5-7-16(12-15(3)23)18-13-21(11-9-14(2)22)19-17(18)8-6-10-20-19/h6,8,10,13,16H,4-5,7,9,11-12H2,1-3H3
InChIKey KRRBKWMDNYVQJA-UHFFFAOYSA-N
Mol Weight 314.43 g/mol
Molecular Formula C19H26N2O2
Exact Mass 314.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8hW1kQJ8cE6
Name 4-[1-(3-Oxobutyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]octan-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26N2O2
InChI InChI=1S/C19H26N2O2/c1-4-5-7-16(12-15(3)23)18-13-21(11-9-14(2)22)19-17(18)8-6-10-20-19/h6,8,10,13,16H,4-5,7,9,11-12H2,1-3H3
InChIKey KRRBKWMDNYVQJA-UHFFFAOYSA-N
Molecular Weight 314.429 g/mol
SMILES CC(CC(CCCC)c1c2c(nccc2)[n](c1)CCC(C)=O)=O
SPLASH splash10-014i-0019000000-cefa90f465a6be43b750
Source of Spectrum K1-0-2400-5
Synonyms 4-[1-(3-oxobutyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-octanone 4-[1-(3-oxobutyl)-3-pyrrolo[2,3-b]pyridinyl]-2-octanone 4-[1-(3-oxobutyl)pyrrolo[2,3-b]pyridin-3-yl]octan-2-one 4-[1-(3-oxidanylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]octan-2-one
Wiley ID 1588905