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5-Chloro-2-methoxyphenyl isothiocyanate

View entire compound with spectra: 1 FTIR, and 1 Raman

5-Chloro-2-methoxyphenyl isothiocyanate
SpectraBase Compound ID 40vd47HP8fB
InChI InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
InChIKey WGLDKQQXEWPFAR-UHFFFAOYSA-N
Mol Weight 199.65 g/mol
Molecular Formula C8H6ClNOS
Exact Mass 198.985863 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8428Sol0o3h
Name 5-Chloro-2-methoxyphenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L11769
Lot Number 10125301
CAS Registry Number 63429-99-2
Copyright Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNOS
InChI InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3
InChIKey WGLDKQQXEWPFAR-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 199.655 g/mol
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)