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1-isothiocyanato-4-(phenoxy)benzene
SpectraBase Compound ID 36fKQbI624o
InChI InChI=1S/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey ZKITXAAKDFPASL-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C13H9NOS
Exact Mass 227.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3oxdpuhEq4L
Name 4-Phenoxy-phenylisothiocyanate
CAS Registry Number 3529-87-1
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9NOS
InChI InChI=1S/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey ZKITXAAKDFPASL-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference R.G. Jones, G. Allen, Org. Magn. Resonance 19, 196 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3