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3-(D-Manno-penta-O-acetylpentitol-1'-yl)-4-nitropyrrole
SpectraBase Compound ID 55GNQ86Bo0U
InChI InChI=1S/C19H24N2O12/c1-9(22)29-8-16(30-10(2)23)18(32-12(4)25)19(33-13(5)26)17(31-11(3)24)14-6-20-7-15(14)21(27)28/h6-7,16-20H,8H2,1-5H3/t16-,17+,18+,19-/m0/s1
InChIKey PSUUEXGBJMZJRY-MANSERQUSA-N
Mol Weight 472.4 g/mol
Molecular Formula C19H24N2O12
Exact Mass 472.132924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qTG2TcIWhY
Name 3-(D-Manno-penta-O-acetylpentitol-1'-yl)-4-nitropyrrole
Alternate Name(s) (5R)-1,2,3,4,5-penta-O-acetyl-5-C-(4-nitro-1H-pyrrol-3-yl)-L-arabinitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N2O12
InChI InChI=1S/C19H24N2O12/c1-9(22)29-8-16(30-10(2)23)18(32-12(4)25)19(33-13(5)26)17(31-11(3)24)14-6-20-7-15(14)21(27)28/h6-7,16-20H,8H2,1-5H3/t16-,17+,18+,19-/m0/s1
InChIKey PSUUEXGBJMZJRY-MANSERQUSA-N
Molecular Weight 472.403 g/mol
SMILES [nH]1cc(c(c1)[C@]([C@@]([C@@]([C@@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])N(=O)=O
SPLASH splash10-001i-9060000000-1d020bb5ac9a725c89c5
Source of Spectrum Y-32-901-4
Wiley ID 1393230