5-Bromo-3-(3,3-dimethyl-2-oxobutylidene)indolin-2-one

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Systematic / IUPAC Name: (3Z)-5-Bromo-3-(3,3-dimethyl-2-oxobutylidene)-1,3-dihydro-2H-indol-2-one

ID: Reference4775

Other Names: 2H-Indol-2-one, 5-bromo-3-(3,3-dimethyl-2-oxobutylidene)-1,3-dihydro-, (3Z)-

Formula: C14H14BrNO2

Spectral Data

5-Bromo-3-(3,3-dimethyl-2-oxobutylidene)indolin-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/11/2016 7:24:47 AM
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Identificators

InChI InChI=1S/C14H14BrNO2/c1-14(2,3)12(17)7-10-9-6-8(15)4-5-11(9)16-13(10)18/h4-7H,1-3H3,(H,16,18)/b10-7-
InChI Key PQCJIEHDCKXFPI-YFHOEESVSA-N
Canonical SMILES CC(C)(C)C(=O)C=C1C2=C(C=CC(=C2)Br)NC1=O
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Other Names 2H-Indol-2-one, 5-bromo-3-(3,3-dimethyl-2-oxobutylidene)-1,3-dihydro-, (3Z)-

In Other Databases

ChemSpider 4643860
PubChem 5703814