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QLUFBCVWKTWKBF-UHFFFAOYSA-N
SpectraBase Compound ID 5eojzF2yAL8
InChI InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChIKey QLUFBCVWKTWKBF-UHFFFAOYSA-N
Mol Weight 180.18 g/mol
Molecular Formula C7H4N2O2S
Exact Mass 179.999349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2unjYcy6vYE
Name 6-Nitrobenzothiazole
Alternate Name(s) 6-Nitro-1,3-benzothiazole Benzothiazole, 6-nitro-
CAS Registry Number 2942-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O2S
InChI InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
InChIKey QLUFBCVWKTWKBF-UHFFFAOYSA-N
Molecular Weight 180.181 g/mol
SMILES c1(N(=O)=O)ccc2ncsc2c1
SPLASH splash10-001i-2900000000-d4832f64f0ff296f6b26
Source of Spectrum NP-17-6512-0
Wiley ID 1101958