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2-((3-Methylbut-2-en-1-yl)thio)benzo[d]thiazole
SpectraBase Compound ID 6B0zSohEa6R
InChI InChI=1S/C12H13NS2/c1-9(2)7-8-14-12-13-10-5-3-4-6-11(10)15-12/h3-7H,8H2,1-2H3
InChIKey ASXIUFKPQKFCSG-UHFFFAOYSA-N
Mol Weight 235.36 g/mol
Molecular Formula C12H13NS2
Exact Mass 235.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy1SGKuxlLs
Name 2-((3-Methylbut-2-en-1-yl)thio)benzo[d]thiazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NS2
InChI InChI=1S/C12H13NS2/c1-9(2)7-8-14-12-13-10-5-3-4-6-11(10)15-12/h3-7H,8H2,1-2H3
InChIKey ASXIUFKPQKFCSG-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901250
Molecular Weight 235.363 g/mol
Reported Formula C12H13NS2
SMILES C(Sc1sc2c(n1)cccc2)C=C(C)C
SPLASH splash10-014i-2940000000-b07aef9a559e1e453c4d
Source of Spectrum ASC-362-SM32-3ma
Thin-Layer Chromatography Rf = 0.18 (cyclohexane/EtOAc, 100:1 (v/v), KMnO4)
Wiley ID 1838151