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1-(but-2-enyl)indole-2-carbaldehyde
SpectraBase Compound ID G4mQJJvgG56
InChI InChI=1S/C13H13NO/c1-2-3-8-14-12(10-15)9-11-6-4-5-7-13(11)14/h2-7,9-10H,8H2,1H3/b3-2+
InChIKey KMGFDOVCWMISJY-NSCUHMNNSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0bU0jyFxjX
Name 1-(but-2-enyl)indole-2-carbaldehyde
CAS Registry Number 116071-29-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-2-3-8-14-12(10-15)9-11-6-4-5-7-13(11)14/h2-7,9-10H,8H2,1H3/b3-2+
InChIKey KMGFDOVCWMISJY-NSCUHMNNSA-N
Molecular Weight 199.253 g/mol
SMILES c1([n](c2c(c1)cccc2)C\C=C\C)C=O
SPLASH splash10-0532-2900000000-8c489a553a3ff702a153
Source of Spectrum KC-1989-2452-13
Synonyms 1-(but-2'-enyl-2-formylindole 1-[(2E)-2-butenyl]-1H-indole-2-carbaldehyde
Wiley ID 1196893