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erythro-ISOTHIOCYANIC ACID, 2-IODO-1-PROPYLPENTYL ESTER
SpectraBase Compound ID FJEs5LaDLne
InChI InChI=1S/C9H16INS/c1-3-5-8(10)9(6-4-2)11-7-12/h8-9H,3-6H2,1-2H3
InChIKey JMZGQQFQMLWLQC-UHFFFAOYSA-N
Mol Weight 297.2 g/mol
Molecular Formula C9H16INS
Exact Mass 297.004816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nvEZEKFOI1
Name erythro-4-Iodo-5-isothiocyanato-octane
CAS Registry Number 77425-29-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16INS
InChI InChI=1S/C9H16INS/c1-3-5-8(10)9(6-4-2)11-7-12/h8-9H,3-6H2,1-2H3
InChIKey JMZGQQFQMLWLQC-UHFFFAOYSA-N
Literature Reference R.C. Cambie, G.D. Mayer, P.S. Rutledge, J. Chem. Soc. Perkin I 52 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3