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ISOTHIOCYANIC ACID, 2,4,6-CYCLOHEPTATRIEN-1-YL ESTER

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ISOTHIOCYANIC ACID, 2,4,6-CYCLOHEPTATRIEN-1-YL ESTER
SpectraBase Compound ID AUDMqLlZSa6
InChI InChI=1S/C8H7NS/c10-7-9-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey INUGEZSRMUZSNN-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R1JkC5Vx3w
Name ISOTHIOCYANIC ACID, 2,4,6-CYCLOHEPTATRIEN-1-YL ESTER
Source of Sample M. Feigel, H. Kessler Chem. Ber. 111, 2947( 1978)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c10-7-9-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey INUGEZSRMUZSNN-UHFFFAOYSA-N
Molecular Weight 149.22
Solvent Acetonitrile-d3; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms ISOTHIOCYANIC ACID, 2,4,6-CYCLOHEPTATRIEN-1-YL ESTER