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3a,4-trans-3a,9a-cis-4-(Nitromethyl)-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-7-ol
SpectraBase Compound ID JXzapMz4zY8
InChI InChI=1S/C12H13NO5/c14-7-1-2-8-10(6-13(15)16)9-3-4-17-12(9)18-11(8)5-7/h1-2,5,9-10,12,14H,3-4,6H2/t9-,10+,12+/m1/s1
InChIKey LIDPHVHMHPXLAV-SCVCMEIPSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73JQP4U9XPV
Name 3a,4-trans-3a,9a-cis-4-(Nitromethyl)-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-7-ol
Alternate Name(s) (3aR,4R,9aS)-4-(nitromethyl)-3,3a,4,9a-tetrahydro-2H-furo[2,3-b][1]benzopyran-7-ol
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Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c14-7-1-2-8-10(6-13(15)16)9-3-4-17-12(9)18-11(8)5-7/h1-2,5,9-10,12,14H,3-4,6H2/t9-,10+,12+/m1/s1
InChIKey LIDPHVHMHPXLAV-SCVCMEIPSA-N
Molecular Weight 251.238 g/mol
SMILES Oc1ccc2c(c1)O[C@]1([C@@]([C@]2(CN(=O)=O)[H])(CCO1)[H])[H]
SPLASH splash10-0fi3-0930000000-13e2e0a37cf7878c961d
Source of Spectrum F-67-7243-19
Wiley ID 1570994