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O-(Methylthio)aniline
SpectraBase Compound ID BR7NX2Boihc
InChI InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKey WBRPQQSADOCKCH-UHFFFAOYSA-N
Mol Weight 139.22 g/mol
Molecular Formula C7H9NS
Exact Mass 139.04557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBhOZpgRM5r
Name O-(Methylthio)aniline
CAS Registry Number 2987-53-3
Comments SOLVENT CCL4/CDCL3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H9NS
InChI InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChIKey WBRPQQSADOCKCH-UHFFFAOYSA-N
Literature Reference H. Takeuchi, S. Hirayama, M. Mitani, J. Chem. Soc. Perkin I 521 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture