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3-Hydroxy-1-methyl-3-(7-phenylhepta-1,6-diynyl)indolin-2-one
SpectraBase Compound ID HsRoPtanIsU
InChI InChI=1S/C22H19NO2/c1-23-20-16-10-9-15-19(20)22(25,21(23)24)17-11-4-2-3-6-12-18-13-7-5-8-14-18/h5,7-10,13-16,25H,2-4H2,1H3
InChIKey JEQHOIODXVCQCR-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C22H19NO2
Exact Mass 329.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ToX3OKiyWq
Name 3-Hydroxy-1-methyl-3-(7-phenylhepta-1,6-diynyl)indolin-2-one
Appearance Light-orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO2
InChI InChI=1S/C22H19NO2/c1-23-20-16-10-9-15-19(20)22(25,21(23)24)17-11-4-2-3-6-12-18-13-7-5-8-14-18/h5,7-10,13-16,25H,2-4H2,1H3
InChIKey JEQHOIODXVCQCR-UHFFFAOYSA-N
Instrument Name Micromass Autospec
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.6.33
Molecular Weight 329.399 g/mol
SMILES OC1(C(N(c2c1cccc2)C)=O)C#CCCCC#Cc1ccccc1
SPLASH splash10-016r-0923000000-59d6d191b51fd8fc8c7c
Source of Spectrum BJO-6-SM4-S2
Thin-Layer Chromatography Rf = 0.44 (50% EtOAc/hexanes))
Wiley ID 1871645