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isothiocyanic acid, alpha-methylbenzyl ester
SpectraBase Compound ID 6BGqPEbd6mE
InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey QQCJPTVZIZVKEZ-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lUkl8tqwxM
Name ISOTHIOCYANIC ACID, alpha-METHYLBENZYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Relaxation agent added
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey QQCJPTVZIZVKEZ-UHFFFAOYSA-N
Molecular Weight 163.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOTHIOCYANIC ACID, A-METHYLBENZYL ESTER