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4-Chlorobenzyl isothiocyanate

View entire compound with spectra: 2 FTIR, and 1 Raman

4-Chlorobenzyl isothiocyanate
SpectraBase Compound ID KzjqYUjEm1J
InChI InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey DEHXIHUIYSXZNH-UHFFFAOYSA-N
Mol Weight 183.66 g/mol
Molecular Formula C8H6ClNS
Exact Mass 182.990948 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ItNnZX8Slwb
Name 4-Chlorobenzyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L09579
Lot Number L15Q040
CAS Registry Number 3694-45-9
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNS
InChI InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey DEHXIHUIYSXZNH-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 183.656 g/mol
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)