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ISOTHIOCHROMAN-4-ON

View entire compound with spectra: 3 NMR, 2 FTIR, and 3 MS (GC)

ISOTHIOCHROMAN-4-ON
SpectraBase Compound ID JtwxTdVTVbt
InChI InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WXGFRIMZEZRKFH-UHFFFAOYSA-N
Mol Weight 164.22 g/mol
Molecular Formula C9H8OS
Exact Mass 164.029586 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7qi1nLkHiGU
Name 2-Thioisochroman-4-one
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L07948
Lot Number 10150150
CAS Registry Number 4426-76-0
Color Properties Cream
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8OS
InChI InChI=1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WXGFRIMZEZRKFH-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 164.222 g/mol
Purity 98%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)