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4-(Methylthio)phenyl isothiocyanate

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

4-(Methylthio)phenyl isothiocyanate
SpectraBase Compound ID 1emCqTp1srw
InChI InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey CEBAJHCAFXYWNT-UHFFFAOYSA-N
Mol Weight 181.27 g/mol
Molecular Formula C8H7NS2
Exact Mass 181.001992 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Ckj5QZPahTb
Name 4-(Methylthio)phenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L09270
Lot Number 10123700
CAS Registry Number 15863-41-9
Color Properties Yellow
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS2
InChI InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey CEBAJHCAFXYWNT-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 181.271 g/mol
Physical State Solid
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)