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1-(1-indolyl)-3-methyl-2-buten-1-one
SpectraBase Compound ID 8E0Ja77zBNp
InChI InChI=1S/C13H13NO/c1-10(2)9-13(15)14-8-7-11-5-3-4-6-12(11)14/h3-9H,1-2H3
InChIKey MWKVLHNFBZUUSP-UHFFFAOYSA-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 Amq1UYNMi96
Name 1-(1-indolyl)-3-methyl-2-buten-1-one
CAS Registry Number 50614-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-10(2)9-13(15)14-8-7-11-5-3-4-6-12(11)14/h3-9H,1-2H3
InChIKey MWKVLHNFBZUUSP-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES C([n]1ccc2c1cccc2)(C=C(C)C)=O
SPLASH splash10-0159-7900000000-207e75fe223387fc3f0f
Source of Spectrum J-51-2349-12
Synonyms 1-indol-1-yl-3-methyl-but-2-en-1-one
Wiley ID 1196885