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4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-nitrophenol)
SpectraBase Compound ID 5tx9styVN4s
InChI InChI=1S/C18H20N2O6/c1-3-13(11-5-7-17(21)15(9-11)19(23)24)14(4-2)12-6-8-18(22)16(10-12)20(25)26/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14-/m1/s1
InChIKey BXTFSGKMQHFUMN-ZIAGYGMSSA-N
Mol Weight 360.37 g/mol
Molecular Formula C18H20N2O6
Exact Mass 360.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvwSCvQSq6n
Name 4,4'-((3S,4S)-Hexane-3,4-diyl)bis(2-nitrophenol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O6
InChI InChI=1S/C18H20N2O6/c1-3-13(11-5-7-17(21)15(9-11)19(23)24)14(4-2)12-6-8-18(22)16(10-12)20(25)26/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14-/m1/s1
InChIKey BXTFSGKMQHFUMN-ZIAGYGMSSA-N
Molecular Weight 360.366 g/mol
SMILES Oc1c(cc([C@]([C@@](c2ccc(c(c2)[N+](=O)[O-])O)(CC)[H])(CC)[H])cc1)[N+](=O)[O-]
SPLASH splash10-0f89-0900000000-6483d3c33d7a9e4d70bf
Source of Spectrum APC-314-638-1e
Wiley ID 1787959