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isothiocyanic acid, 1,1,3,3-tetramethylbutyl ester

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

isothiocyanic acid, 1,1,3,3-tetramethylbutyl ester
SpectraBase Compound ID FXeaS9C3pJf
InChI InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey KUGHMFIBHMZICO-UHFFFAOYSA-N
Mol Weight 171.3 g/mol
Molecular Formula C9H17NS
Exact Mass 171.108171 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Fwz5FMKa8y3
Name ISOTHIOCYANIC ACID, 1,1,3,3-TETRAMETHYLBUTYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number O660
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density 1.199
Formula C9H17NS
InChI InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey KUGHMFIBHMZICO-UHFFFAOYSA-N
Molecular Weight 171.302002
Optical Properties Index of Refraction= (20C) 1.4843
Synonyms ISOTHIOCYANIC ACID, 1,1,3,3-TETRA- METHYLBUTYL ESTER
Technique CAPILLARY CELL: NEAT