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4-Ethoxy-phenylisothiocyanate
SpectraBase Compound ID A1T7QWDpruQ
InChI InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
InChIKey REEKOMRZYJXXNR-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPcmSmonimz
Name 4-Ethoxy-phenylisothiocyanate
CAS Registry Number 3460-49-9
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
InChIKey REEKOMRZYJXXNR-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