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2-(Butylthio)benzo[d]thiazole
SpectraBase Compound ID 18pqZmX2sdK
InChI InChI=1S/C11H13NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3
InChIKey PXSCUDKGNNWGBZ-UHFFFAOYSA-N
Mol Weight 223.35 g/mol
Molecular Formula C11H13NS2
Exact Mass 223.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sE1hWnigZD
Name 2-(Butylthio)benzo[d]thiazole
Appearance Yellow or orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NS2
InChI InChI=1S/C11H13NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3
InChIKey PXSCUDKGNNWGBZ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890-5793N or Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202003392
Molecular Weight 223.352 g/mol
Reported Formula C11H13NS2
SMILES c1cc2c(cc1)sc(n2)SCCCC
SPLASH splash10-016r-0900000000-e0388852ad0c4c2942db
Source of Spectrum ACI-59-SM17-4bf
Wiley ID 1858136