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1,1-Dimethyl-3-phenyl-1H-isoindole
SpectraBase Compound ID AUpikHTTJpK
InChI InChI=1S/C16H15N/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKey MAHJPPMMSSUJMD-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C16H15N
Exact Mass 221.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iaSmhcQbY
Name 1,1-Dimethyl-3-phenyl-1H-isoindole
Appearance Pale-yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N
InChI InChI=1S/C16H15N/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKey MAHJPPMMSSUJMD-UHFFFAOYSA-N
Instrument Name Waters AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02797
Molecular Weight 221.303 g/mol
Quality 127
Reported Formula C16H15N
SMILES CC1(N=C(C2=C1C=CC=C2)C1=CC=CC=C1)C
SPLASH splash10-05fr-0190000000-b3ef7e8a7924af4399e7
Source of Spectrum JOC-88-SM18-6 (DOI: 10.1021/acs.joc.2c02797)
Thin-Layer Chromatography 0.27 (Hexane/EtOAc, 5:1)
Wiley ID 1912664