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4-Octyl-6-nitro-2H-1,4-benzothiazin-3-one
SpectraBase Compound ID AQjASJe28xm
InChI InChI=1S/C16H22N2O3S/c1-2-3-4-5-6-7-10-17-14-11-13(18(20)21)8-9-15(14)22-12-16(17)19/h8-9,11H,2-7,10,12H2,1H3
InChIKey GLQHOCZPBHJEST-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXip8mjXUPo
Name 4-Octyl-6-nitro-2H-1,4-benzothiazin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O3S
InChI InChI=1S/C16H22N2O3S/c1-2-3-4-5-6-7-10-17-14-11-13(18(20)21)8-9-15(14)22-12-16(17)19/h8-9,11H,2-7,10,12H2,1H3
InChIKey GLQHOCZPBHJEST-UHFFFAOYSA-N
Molecular Weight 322.423 g/mol
SMILES c12N(C(CSc1ccc(c2)N(=O)=O)=O)CCCCCCCC
SPLASH splash10-03dj-2982000000-aa9d25f3b3ae1159cf16
Source of Spectrum EMC-38-771-4
Synonyms 6-Nitro-4-octyl-2H-benzo[b][1,4]thiazin-3(4H)-one
Wiley ID 1734719