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S-methyl 1,3-benzodioxole-5-carbothioate
SpectraBase Compound ID 65vOoYbgo5N
InChI InChI=1S/C9H8O3S/c1-13-9(10)6-2-3-7-8(4-6)12-5-11-7/h2-4H,5H2,1H3
InChIKey WJERGNANHRVQQD-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C9H8O3S
Exact Mass 196.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeOuFU3Ktk
Name S-Methyl benzo[d][1,3]dioxole-5-carbothioate
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c1-13-9(10)6-2-3-7-8(4-6)12-5-11-7/h2-4H,5H2,1H3
InChIKey WJERGNANHRVQQD-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 196.220 g/mol
SMILES CSC(=O)c1ccc2c(OCO2)c1
SPLASH splash10-0002-2900000000-dc9fc16f4a660f5629bf
Source of Spectrum JOC-86-8801-3i
Wiley ID 1867841