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Ethyl 3-methyl-6-nitro-1-(piperidin-1-yl)benzo[e][1,2]thiazine-4-carboxylate 1-oxide
SpectraBase Compound ID 4bt5l8D6eEb
InChI InChI=1S/C17H21N3O5S/c1-3-25-17(21)16-12(2)18-26(24,19-9-5-4-6-10-19)15-8-7-13(20(22)23)11-14(15)16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey WPGRTAXKTNGKGA-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C17H21N3O5S
Exact Mass 379.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd5bZZHXhVR
Name Ethyl 3-methyl-6-nitro-1-(piperidin-1-yl)benzo[e][1,2]thiazine-4-carboxylate 1-oxide
Appearance Orange solid
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Formula C17H21N3O5S
InChI InChI=1S/C17H21N3O5S/c1-3-25-17(21)16-12(2)18-26(24,19-9-5-4-6-10-19)15-8-7-13(20(22)23)11-14(15)16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey WPGRTAXKTNGKGA-UHFFFAOYSA-N
Instrument Name Finnigan SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202001505
Molecular Weight 379.431 g/mol
Reported Formula C17H21N3O5S
SMILES c1([N+](=O)[O-])ccc2s(=O)(N3CCCCC3)nc(C)c(C(OCC)=O)c2c1
SPLASH splash10-004i-0019000000-b8f27ee0301cc88c0b0a
Source of Spectrum ASC-363-SM12-11da
Wiley ID 1856430