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4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile
SpectraBase Compound ID 7lVXhpiwH01
InChI InChI=1S/C12H8N2S/c13-7-9-5-6-14-10-3-1-2-4-12(10)15-8-11(9)14/h1-5,8H,6H2
InChIKey IZFQCYRQIFVCNP-UHFFFAOYSA-N
Mol Weight 212.27 g/mol
Molecular Formula C12H8N2S
Exact Mass 212.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMOJx42ilFt
Name 4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile
Alternate Name(s) 1H-pyrrolo[2,1-c][1,4]benzothiazine-3-carbonitrile 3-Cyano-pyrrolo[2.1-c][1.4]benzothiazine
CAS Registry Number 107344-60-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2S
InChI InChI=1S/C12H8N2S/c13-7-9-5-6-14-10-3-1-2-4-12(10)15-8-11(9)14/h1-5,8H,6H2
InChIKey IZFQCYRQIFVCNP-UHFFFAOYSA-N
Molecular Weight 212.270 g/mol
SMILES C=12N(CC=C2C#N)c2c(SC1)cccc2
SPLASH splash10-000i-0930000000-eb12f5a735b3d2e8e99a
Source of Spectrum Y-23-698-0
Wiley ID 1211393