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3-Amino-4-(4-methylphenylsulfonyl)isoquinoline

View entire compound with spectra: 1 MS (GC)

3-Amino-4-(4-methylphenylsulfonyl)isoquinoline
SpectraBase Compound ID 3zBhdODsskG
InChI InChI=1S/C16H14N2O2S/c1-11-6-8-13(9-7-11)21(19,20)15-14-5-3-2-4-12(14)10-18-16(15)17/h2-10H,1H3,(H2,17,18)
InChIKey PHTRCCNBRVCZPG-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Z8uT1RpvhC
Name 3-Amino-4-(4-methylphenylsulfonyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-11-6-8-13(9-7-11)21(19,20)15-14-5-3-2-4-12(14)10-18-16(15)17/h2-10H,1H3,(H2,17,18)
InChIKey PHTRCCNBRVCZPG-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
SMILES Nc1ncc2c(c1S(=O)(=O)c1ccc(cc1)C)cccc2
SPLASH splash10-001i-1290000000-47fed09598288270459d
Source of Spectrum SO-0-764-4
Synonyms 4-[(4-methylphenyl)sulfonyl]-3-isoquinolinamine 4-[(4-methylphenyl)sulfonyl]-3-isoquinolinylamine
Wiley ID 1545821