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2-Buten-1-one, 1-(1H-indol-3-yl)-, (E)-
SpectraBase Compound ID Ex2MpU3sCSD
InChI InChI=1S/C12H11NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h2-8,13H,1H3/b5-2+
InChIKey ITRFOIXINMYGAX-GORDUTHDSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cyyQUN0GVk
Name 2-Buten-1-one, 1-(1H-indol-3-yl)-, (E)-
Alternate Name(s) (2E)-1-(1H-indol-3-yl)-2-buten-1-one .beta.-crotonylindole
CAS Registry Number 114907-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h2-8,13H,1H3/b5-2+
InChIKey ITRFOIXINMYGAX-GORDUTHDSA-N
Molecular Weight 185.226 g/mol
SMILES [nH]1c2c(c(c1)C(\C=C\C)=O)cccc2
SPLASH splash10-000l-1900000000-005f04769b25cc33abe4
Source of Spectrum J-53-3174-11
Wiley ID 1182038