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2-Ethyl-8-nitro-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepine 1,1-dioxide
SpectraBase Compound ID 57jur2fZsJ4
InChI InChI=1S/C10H12N2O5S/c1-2-11-5-6-17-9-4-3-8(12(13)14)7-10(9)18(11,15)16/h3-4,7H,2,5-6H2,1H3
InChIKey MLNVSHIIBWRKSJ-UHFFFAOYSA-N
Mol Weight 272.27 g/mol
Molecular Formula C10H12N2O5S
Exact Mass 272.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kc7dWs6I3xF
Name 2-Ethyl-8-nitro-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepine 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O5S
InChI InChI=1S/C10H12N2O5S/c1-2-11-5-6-17-9-4-3-8(12(13)14)7-10(9)18(11,15)16/h3-4,7H,2,5-6H2,1H3
InChIKey MLNVSHIIBWRKSJ-UHFFFAOYSA-N
Molecular Weight 272.275 g/mol
SMILES CCN1CCOc2ccc(cc2S1(=O)=O)[N+]([O-])=O
SPLASH splash10-0a4i-9040000000-b8b2c069367ef75d9817
Source of Spectrum JX-2015-2-599
Wiley ID 1722310