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1-(pent-4-en-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID 5N51AokfD5R
InChI InChI=1S/C13H13N3/c1-2-3-4-8-16-10-11(9-14)12-6-5-7-15-13(12)16/h2,5-7,10H,1,3-4,8H2
InChIKey MBDZFMBLMIKYSS-UHFFFAOYSA-N
Mol Weight 211.27 g/mol
Molecular Formula C13H13N3
Exact Mass 211.110947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ssb8mXnGa
Name 1-(Pent-4-en-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 211.110947431 u
Formula C13H13N3
InChI InChI=1S/C13H13N3/c1-2-3-4-8-16-10-11(9-14)12-6-5-7-15-13(12)16/h2,5-7,10H,1,3-4,8H2
InChIKey MBDZFMBLMIKYSS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 211.268 g/mol
Nominal Mass 211 u
Quality 993
Retention Index 1742
SMILES C=12C(C(=CN2CCCC=C)C#N)=CC=CN1
SPLASH splash10-0a4i-2910000000-aea06e699de1f162ee40
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(pent-4-en-1-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Technique GC/MS
Wiley ID DD2024_021070