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1-(Bicyclo[2.2.1]hept-5-en-endo-2-yl)-2-nitro-2-(phenylsulfonyl)propane
SpectraBase Compound ID 9HDXIceTgx2
InChI InChI=1S/C16H19NO4S/c1-16(17(18)19,11-14-10-12-7-8-13(14)9-12)22(20,21)15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3
InChIKey DPHYBBKPOBJCRM-UHFFFAOYSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQnkoMXtmNr
Name 1-(Bicyclo[2.2.1]hept-5-en-endo-2-yl)-2-nitro-2-(phenylsulfonyl)propane
Alternate Name(s) 2-bicyclo[2.2.1]hept-5-en-2-yl-1-methyl-1-nitroethyl phenyl sulfone 5-[2-nitro-2-(phenylsulfonyl)propyl]bicyclo[2.2.1]hept-2-ene
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Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-16(17(18)19,11-14-10-12-7-8-13(14)9-12)22(20,21)15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3
InChIKey DPHYBBKPOBJCRM-UHFFFAOYSA-N
Molecular Weight 321.391 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(N(=O)=O)(CC1C2C=CC(C1)C2)C
SPLASH splash10-016r-9200000000-e5fea2ae2bf751117884
Source of Spectrum KC-1993-2104-0
Wiley ID 779616