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4-Nitrobenzenesulfonic acid 7-oxabicyclo[2.2.1]heptan-3-yl ester
SpectraBase Compound ID DrEGtrLfQCN
InChI InChI=1S/C12H13NO6S/c14-13(15)8-1-4-10(5-2-8)20(16,17)19-12-7-9-3-6-11(12)18-9/h1-2,4-5,9,11-12H,3,6-7H2/t9-,11+,12+/m0/s1
InChIKey IFAKTJCLYIQTMW-MVWJERBFSA-N
Mol Weight 299.3 g/mol
Molecular Formula C12H13NO6S
Exact Mass 299.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jmcvJShWwm
Name 4-Nitrobenzenesulfonic acid 7-oxabicyclo[2.2.1]heptan-3-yl ester
Alternate Name(s) 7-Oxabicyclo[2.2.1]heptan-3-yl 4-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO6S
InChI InChI=1S/C12H13NO6S/c14-13(15)8-1-4-10(5-2-8)20(16,17)19-12-7-9-3-6-11(12)18-9/h1-2,4-5,9,11-12H,3,6-7H2/t9-,11+,12+/m0/s1
InChIKey IFAKTJCLYIQTMW-MVWJERBFSA-N
Molecular Weight 299.297 g/mol
SMILES C1[C@]2(C[C@@](OS(c3ccc(N(=O)=O)cc3)(=O)=O)([C@](O2)(C1)[H])[H])[H]
SPLASH splash10-014l-9200000000-8add7e3210d6eb15049e
Wiley ID 1451373