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syn-2,3-Dithia-9-[(p-nitrobenzoyl)oxy]bicyclo[4.2.1]nonane S-oxide
SpectraBase Compound ID 7nHmgDaEGsy
InChI InChI=1S/C14H15NO5S2/c16-14(10-1-4-11(5-2-10)15(17)18)20-13-9-3-6-12(13)22(19)21-8-7-9/h1-2,4-5,9,12-13H,3,6-8H2/t9-,12+,13?,22?/m1/s1
InChIKey QMEFSAOONGXTPS-HQBJMYNLSA-N
Mol Weight 341.4 g/mol
Molecular Formula C14H15NO5S2
Exact Mass 341.039165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft6HCtkFyGD
Name syn-2,3-Dithia-9-[(p-nitrobenzoyl)oxy]bicyclo[4.2.1]nonane S-oxide
Alternate Name(s) 2-oxido-2,3-dithiabicyclo[4.2.1]non-9-yl 4-nitrobenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO5S2
InChI InChI=1S/C14H15NO5S2/c16-14(10-1-4-11(5-2-10)15(17)18)20-13-9-3-6-12(13)22(19)21-8-7-9/h1-2,4-5,9,12-13H,3,6-8H2/t9-,12+,13?,22?/m1/s1
InChIKey QMEFSAOONGXTPS-HQBJMYNLSA-N
Molecular Weight 341.396 g/mol
SMILES [C@@]12([S@@](SCC[C@](C2OC(c2ccc(N(=O)=O)cc2)=O)(CC1)[H])=O)[H]
SPLASH splash10-0udi-0900000000-47ba047f836a5798f6b6
Source of Spectrum C-115-3070-9
Wiley ID 1335739