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9-Oxo-5-oxa-4-thia-3,8-diaza-exo-tricyclo[9.2.1.0(2,10)]tetradec-12-en-4,4-dioxide
SpectraBase Compound ID 4aBP7SfdMbX
InChI InChI=1S/C10H14N2O4S/c13-10-8-6-1-2-7(5-6)9(8)12-17(14,15)16-4-3-11-10/h1-2,6-9,12H,3-5H2,(H,11,13)/t6-,7+,8-,9-/m0/s1
InChIKey NPZJIJWBYNEEDP-KZVJFYERSA-N
Mol Weight 258.29 g/mol
Molecular Formula C10H14N2O4S
Exact Mass 258.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u0A9TUvqnP
Name 9-Oxo-5-oxa-4-thia-3,8-diaza-exo-tricyclo[9.2.1.0(2,10)]tetradec-12-en-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N2O4S
InChI InChI=1S/C10H14N2O4S/c13-10-8-6-1-2-7(5-6)9(8)12-17(14,15)16-4-3-11-10/h1-2,6-9,12H,3-5H2,(H,11,13)/t6-,7+,8-,9-/m0/s1
InChIKey NPZJIJWBYNEEDP-KZVJFYERSA-N
Literature Reference DOI 10.1002/cber.19751080631
Molecular Weight 258.292 g/mol
SMILES N1CCOS(N[C@]2([C@]3(C[C@](C=C3)([C@@]2(C1=O)[H])[H])[H])[H])(=O)=O
SPLASH splash10-05mx-9620000000-8a1368ff384044453310
Source of Spectrum K-108-2147-24
Synonyms (7aR,8S,11R)-5,6,7a,8,11,11a-hexahydro-1H-8,11-methanobenzo[d][1,2,3,7]oxathiadiazonin-7(4H)-one 2,2-dioxide
Wiley ID 1793972