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Thiocyanic acid, (2-benzothiazolylthio)methyl ester
SpectraBase Compound ID DDwr7ARpmEY
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChIKey TUBQDCKAWGHZPF-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C9H6N2S3
Exact Mass 237.969312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44QxJaBGbIS
Name TCMTB
Source of Sample Sigma-Aldrich Cat. #34555
CAS Registry Number 21564-17-0
Classification Pesticides: Fungicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 237.969311723 u
Formula C9H6N2S3
InChI InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2
InChIKey TUBQDCKAWGHZPF-UHFFFAOYSA-N
Molecular Weight 238.341 g/mol
Number of Peaks 50
RI1 2142
SMILES C(#N)SCSc1nc2ccccc2s1
SPLASH splash10-001r-2900000000-73864b8e696bc3796ab4
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Thiocyanic acid, (2-benzothiazolylthio)methyl ester
Wiley ID LM_PEST_218