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Benzothiazole
SpectraBase Compound ID 8wOdVvIqVx5
InChI InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LE2Y3EDEdLK
Name Benzothiazole
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NS
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 135.184 g/mol
Quality 988
SMILES C=1SC2=C(N1)C=CC=C2
SPLASH splash10-000i-7900000000-e39c0e5316383c653472
Source of Spectrum JAFC-70-SM17-17-1 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911499