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Imidazo[5,1-b][1,3]thiazepine, 2,3,4,5-tetrahydro-9-nitro-
SpectraBase Compound ID LFZcjTZKXoA
InChI InChI=1S/C7H9N3O2S/c11-10(12)6-7-9(5-8-6)3-1-2-4-13-7/h5H,1-4H2
InChIKey RQFZNSWLQFBDTR-UHFFFAOYSA-N
Mol Weight 199.23 g/mol
Molecular Formula C7H9N3O2S
Exact Mass 199.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FB48tY074aY
Name Imidazo[5,1-b][1,3]thiazepine, 2,3,4,5-tetrahydro-9-nitro-
CAS Registry Number 105592-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O2S
InChI InChI=1S/C7H9N3O2S/c11-10(12)6-7-9(5-8-6)3-1-2-4-13-7/h5H,1-4H2
InChIKey RQFZNSWLQFBDTR-UHFFFAOYSA-N
Molecular Weight 199.228 g/mol
SMILES c1(c2[n](CCCCS2)cn1)N(=O)=O
SPLASH splash10-0002-0900000000-304762e0ebd840d3078f
Source of Spectrum B-38-1876-0
Synonyms 9-Nitro-2,3,4,5-tetrahydroimidazo[5,1-b]thiazepine 9-Nitro-2,3,4,5-tetrahydroimidazo[5,1-b][1,3]thiazepine
Wiley ID 1196462