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5-chloro-3-(2-cyclopropylethynyl)-3-hydroxy-1-prop-2-ynyl-indolin-2-one
SpectraBase Compound ID HWET4sb0FHT
InChI InChI=1S/C16H12ClNO2/c1-2-9-18-14-6-5-12(17)10-13(14)16(20,15(18)19)8-7-11-3-4-11/h1,5-6,10-11,20H,3-4,9H2
InChIKey LTCDTIKQCOJTSN-UHFFFAOYSA-N
Mol Weight 285.73 g/mol
Molecular Formula C16H12ClNO2
Exact Mass 285.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHYUprtLlKB
Name 5-chloro-3-(2-cyclopropylethynyl)-3-hydroxy-1-prop-2-ynyl-indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClNO2
InChI InChI=1S/C16H12ClNO2/c1-2-9-18-14-6-5-12(17)10-13(14)16(20,15(18)19)8-7-11-3-4-11/h1,5-6,10-11,20H,3-4,9H2
InChIKey LTCDTIKQCOJTSN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 285.730 g/mol
SMILES OC1(C#CC2CC2)c2cc(ccc2N(C1=O)CC#C)Cl
SPLASH splash10-0012-0490000000-775c3e6bc444ae52411f
Source of Spectrum WO2017193180A1
Wiley ID 1866158