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9-Oxo-5,8-dioxa-4-thia-3-aza-exo-tricyclo[9.2.1.0(2,10)]tetradec-12-en-4,4-dioxide
SpectraBase Compound ID CrLOAOECrO5
InChI InChI=1S/C10H13NO5S/c12-10-8-6-1-2-7(5-6)9(8)11-17(13,14)16-4-3-15-10/h1-2,6-9,11H,3-5H2/t6-,7+,8-,9-/m0/s1
InChIKey MDIHAYQULZHNOP-KZVJFYERSA-N
Mol Weight 259.28 g/mol
Molecular Formula C10H13NO5S
Exact Mass 259.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CxneKRhI75
Name 9-Oxo-5,8-dioxa-4-thia-3-aza-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 C10H13NO5S
InChI InChI=1S/C10H13NO5S/c12-10-8-6-1-2-7(5-6)9(8)11-17(13,14)16-4-3-15-10/h1-2,6-9,11H,3-5H2/t6-,7+,8-,9-/m0/s1
InChIKey MDIHAYQULZHNOP-KZVJFYERSA-N
Literature Reference DOI 10.1002/cber.19751080631
Molecular Weight 259.276 g/mol
SMILES N1S(OCCOC([C@@]2([C@@]1([C@@]1(C=C[C@]2(C1)[H])[H])[H])[H])=O)(=O)=O
SPLASH splash10-014i-9510000000-24bcf25e83c15b2c251e
Source of Spectrum K-108-2144-13
Synonyms (7aR,8S,11R)-4,5,7a,8,11,11a-hexahydro-8,11-methanobenzo[d][1,7,2,3]dioxathiazonin-7(1H)-one 2,2-dioxide
Wiley ID 1793965