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2,6-Methano-1H-[1]benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 3,3-dioxide
SpectraBase Compound ID GX1QE3XnK9O
InChI InChI=1S/C12H17NO4S/c1-2-17-12(14)13-9-7-5-8(10(9)13)11-6(7)3-4-18(11,15)16/h6-11H,2-5H2,1H3
InChIKey AGMQKKKABQIQCX-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IG0NVWdPtZ
Name 2,6-Methano-1H-[1]benzothieno[5,6-b]azirine-1-carboxylic acid, octahydro-, ethyl ester, 3,3-dioxide
CAS Registry Number 92688-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-2-17-12(14)13-9-7-5-8(10(9)13)11-6(7)3-4-18(11,15)16/h6-11H,2-5H2,1H3
InChIKey AGMQKKKABQIQCX-UHFFFAOYSA-N
Molecular Weight 271.331 g/mol
SMILES C12N(C1C1C3CCS(C3C2C1)(=O)=O)C(=O)OCC
SPLASH splash10-0f89-7920000000-b7cfd439285909f7051e
Source of Spectrum F-40-2501-0
Synonyms 9-Ethoxycarbonyl-3-thia-9-azatetracyclo-[5.2.1.0(2,6).0(8,10)decane 3,3-dioxide Ethyl 3-thia-9-azatetracyclo[5.3.1.0(2,6).0(8,10)]undecane-9-carboxylate 3,3-dioxide
Wiley ID 1275120