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

*Links on SpectraBase are not permalinks.
1-(1H-Indol-6-yl)-3-methylbut-2-en-1-one
SpectraBase Compound ID CpayJvrf5YO
InChI InChI=1S/C13H13NO/c1-9(2)7-13(15)11-4-3-10-5-6-14-12(10)8-11/h3-8,14H,1-2H3
InChIKey UKPHRRWOQHIHRS-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 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 EAWntXEbUpJ
Name 1-(1H-Indol-6-yl)-3-methylbut-2-en-1-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-9(2)7-13(15)11-4-3-10-5-6-14-12(10)8-11/h3-8,14H,1-2H3
InChIKey UKPHRRWOQHIHRS-UHFFFAOYSA-N
Instrument Name LTQ orbitrap velos/Thermo Finnigan LTQ FT/Thermo Finnigan MAT 95/Finnigan MAT 95 XLT
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.184
Molecular Weight 199.253 g/mol
Reported Formula C13H13NO
SMILES [nH]1ccc2ccc(cc12)C(C=C(C)C)=O
SPLASH splash10-00ls-1900000000-6e5bcde015e7a84f6ec9
Source of Spectrum BJO-11-SM11-14
Thin-Layer Chromatography Rf = 0.40 (PE/EA, 3:1)
Wiley ID 1851579