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1,1,3,3-Tetramethylbutyl thiocyanate
SpectraBase Compound ID HLDrVYSy5Lo
InChI InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)11-7-10/h6H2,1-5H3
InChIKey DKVWKITWZIDEQK-UHFFFAOYSA-N
Mol Weight 171.3 g/mol
Molecular Formula C9H17NS
Exact Mass 171.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KevLH8yOxPV
Name 1,1,3,3-Tetramethylbutyl thiocyanate
CAS Registry Number 89601-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NS
InChI InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)11-7-10/h6H2,1-5H3
InChIKey DKVWKITWZIDEQK-UHFFFAOYSA-N
Molecular Weight 171.302 g/mol
SMILES C(CC(C)(SC#N)C)(C)(C)C
SPLASH splash10-0a4i-9100000000-dd9ce002cb7be0d15cc4
Source of Spectrum NP-2-5235-0
Synonyms Thiocyanic acid, 1,1,3,3-tetramethylbutyl ester thiocyanic acid 2,4,4-trimethylpentan-2-yl ester 2,4,4-trimethylpentan-2-yl thiocyanate
Wiley ID 1101188