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6-Benzyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-1-carbonic acid 4-nitrophenyl ester
SpectraBase Compound ID 9JTKPSZuLOB
InChI InChI=1S/C20H16N2O5S2/c23-20(26-16-8-6-15(7-9-16)22(24)25)27-21-10-11-28-19-18(21)13-17(29-19)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2
InChIKey SGTPJIHTJRTMAT-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C20H16N2O5S2
Exact Mass 428.050064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWTt96uacQ
Name 6-Benzyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-1-carbonic acid 4-nitrophenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O5S2
InChI InChI=1S/C20H16N2O5S2/c23-20(26-16-8-6-15(7-9-16)22(24)25)27-21-10-11-28-19-18(21)13-17(29-19)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2
InChIKey SGTPJIHTJRTMAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-4184(200002)333_2_3_58
Molecular Weight 428.477 g/mol
SMILES c12SCCN(c2cc(s1)Cc1ccccc1)OC(=O)Oc1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-03di-2030900000-ab1b7005b010ffce3249
Source of Spectrum APP-333-61-9
Synonyms 6-Benzyl-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-1-yl (4-nitrophenyl) carbonate
Wiley ID 1770380