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9,13-Dinitro-Atholactone
SpectraBase Compound ID 8bbbBvww5UL
InChI InChI=1S/C13H10N2O8/c16-9-5-4-8-12(23-9)11(17)13(22-8)10-6(14(18)19)2-1-3-7(10)15(20)21/h1-5,8,11-13,17H/t8-,11-,12+,13+/m0/s1
InChIKey FZKTXEFXWKWTPW-HWNAMQAFSA-N
Mol Weight 322.23 g/mol
Molecular Formula C13H10N2O8
Exact Mass 322.043715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuqxGfaUlWs
Name 9,13-Dinitro-Atholactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O8
InChI InChI=1S/C13H10N2O8/c16-9-5-4-8-12(23-9)11(17)13(22-8)10-6(14(18)19)2-1-3-7(10)15(20)21/h1-5,8,11-13,17H/t8-,11-,12+,13+/m0/s1
InChIKey FZKTXEFXWKWTPW-HWNAMQAFSA-N
Molecular Weight 322.229 g/mol
SMILES O[C@]1([C@@]2(OC(=O)C=C[C@@]2(O[C@@]1(c1c(N(=O)=O)cccc1N(=O)=O)[H])[H])[H])[H]
SPLASH splash10-014i-0930000000-5a953ea0cc7f9474f6b2
Source of Spectrum G4-62-1108-9
Synonyms (2R,3R,3aS,7aS)-2-(2,6-dinitrophenyl)-3-oxidanyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
Wiley ID 1608004