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ABQKHKWXTUVKGF-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, 3 MS (GC), and 2 Near IR

ABQKHKWXTUVKGF-UHFFFAOYSA-N
SpectraBase Compound ID GX6qlFOAttf
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-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 AsTKz2pJtp6
Name 4-METHYLPHENYLISOTHIOCYANAT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-UHFFFAOYSA-N
Literature Reference Author R.G.JONES,G.ALLEN
Literature Reference Citation ORG.MAGN.RES.,19,196(1982)
Literature Reference DOI 10.1002/mrc.1270190408
Molecular Weight 149.210 g/mol
Solvent CDCl3
Source File Reference UNIW2694