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2,6-Anhydro-5,7-O-benzylidene-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol
SpectraBase Compound ID Cil92Ee1uCC
InChI InChI=1S/C14H17NO7/c16-11-9(6-15(18)19)21-10-7-20-14(22-13(10)12(11)17)8-4-2-1-3-5-8/h1-5,9-14,16-17H,6-7H2/t9-,10+,11-,12+,13+,14+/m0/s1
InChIKey VDZYDQXBRJWDNV-XADZXUCXSA-N
Mol Weight 311.29 g/mol
Molecular Formula C14H17NO7
Exact Mass 311.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDRWvjxMCJu
Name 2,6-Anhydro-1-deoxy-5,7-O-benzylidene-1-nitro-D-glycero-D-gulo-heptitol
Alternate Name(s) 2,6-Anhydro-5,7-O-benzylidene-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO7
InChI InChI=1S/C14H17NO7/c16-11-9(6-15(18)19)21-10-7-20-14(22-13(10)12(11)17)8-4-2-1-3-5-8/h1-5,9-14,16-17H,6-7H2/t9-,10+,11-,12+,13+,14+/m0/s1
InChIKey VDZYDQXBRJWDNV-XADZXUCXSA-N
Molecular Weight 311.290 g/mol
SMILES O[C@@]1([C@]([C@@](O[C@@]2(CO[C@](O[C@@]12[H])(c1ccccc1)[H])[H])(CN(=O)=O)[H])(O)[H])[H]
SPLASH splash10-0a4i-9502000000-a614b4fbf4775f745cb4
Source of Spectrum O-34-1324-2
Wiley ID 763434