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2,6-Ethano-1H-[2]benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 4,4-dioxide
SpectraBase Compound ID CdrftZUwwmC
InChI InChI=1S/C13H19NO4S/c1-2-18-13(15)14-11-7-3-4-8(12(11)14)10-6-19(16,17)5-9(7)10/h7-12H,2-6H2,1H3
InChIKey LYXILNTZJLODQP-UHFFFAOYSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wO6daxUTtf
Name 2,6-Ethano-1H-[2]benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 4,4-dioxide
Alternate Name(s) 9-Ethoxycarbonyl-4-thia-9-azatetracyclo[5.3.2.0(2,6).0(8,10)]dodecane 4,4-dioxide Ethyl 4-thia-9-azatetracyclo[5.3.2.0(2,6).0(8,10)]dodecane-9-carboxylate 4,4-dioxide
CAS Registry Number 92688-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-2-18-13(15)14-11-7-3-4-8(12(11)14)10-6-19(16,17)5-9(7)10/h7-12H,2-6H2,1H3
InChIKey LYXILNTZJLODQP-UHFFFAOYSA-N
Molecular Weight 285.358 g/mol
SMILES C12N(C1C1C3CS(CC3C2CC1)(=O)=O)C(=O)OCC
SPLASH splash10-00kb-9640000000-169e49493d567be23fa3
Source of Spectrum F-40-2500-0
Wiley ID 1288772