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(E/Z)-3-(Butan-2'-ylidene)-6-chloroindolin-2-one
SpectraBase Compound ID AxemmdZfHM9
InChI InChI=1S/C12H12ClNO/c1-3-7(2)11-9-5-4-8(13)6-10(9)14-12(11)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKey DSXQTDXSKVWHFJ-UHFFFAOYSA-N
Mol Weight 221.69 g/mol
Molecular Formula C12H12ClNO
Exact Mass 221.060742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNRuqAUp0My
Name (E/Z)-3-(Butan-2'-ylidene)-6-chloroindolin-2-one
Appearance Light yellow solid or Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.060741709 u
Formula C12H12ClNO
InChI InChI=1S/C12H12ClNO/c1-3-7(2)11-9-5-4-8(13)6-10(9)14-12(11)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKey DSXQTDXSKVWHFJ-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600600
Molecular Weight 221.687 g/mol
Quality 486
Reported Formula C12H12ClNO
SMILES N1C(C(C2=C1C=C(C=C2)Cl)=C(C)CC)=O
SPLASH splash10-006x-5490000000-2a6392d806987d93322b
Source of Spectrum QE-22-SM18-(E or Z)-7c (DOI: 10.1002/chem.201600600)
Thin-Layer Chromatography 0.23 (n-pentane/EtOAc, 5:1)
Wiley ID 1904853