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2,6-Anhydro-1-deoxy-3,4 : 5,7-di( O-isopropylidene)-1-nitro-D-glycero-D-gulo-heptitol
SpectraBase Compound ID 3Rk7wViEjxe
InChI InChI=1S/C13H21NO7/c1-12(2)17-6-8-10(19-12)11-9(20-13(3,4)21-11)7(18-8)5-14(15)16/h7-11H,5-6H2,1-4H3/t7-,8+,9-,10+,11+/m0/s1
InChIKey AAFWXJGPCQPIBU-OGBGREFGSA-N
Mol Weight 303.31 g/mol
Molecular Formula C13H21NO7
Exact Mass 303.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kp80PilvC1q
Name 2,6-Anhydro-1-deoxy-3,4 : 5,7-di( O-isopropylidene)-1-nitro-D-glycero-D-gulo-heptitol
Alternate Name(s) 2,6-Anhydro-3,4 : 5,7-bis( O-isopropylidene)-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol (1R,2R,6S,7S,9R)-4,4,12,12-tetramethyl-7-(nitromethyl)-3,5,8,11,13-pentaoxatricyclo[7.4.0.0(2,6)]tridecane 2,6-Anhydro-1-deoxy-3,4 : 5,7-di(O-isopropylidene)-1-nitro-D-glycero-D-gulo-heptitol 2,6-Anhydro-3,4 : 5,7-bis(O-isopropylidene)-1-deoxy-1-nitro-D-glycero-D-gulo-heptitol
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Formula C13H21NO7
InChI InChI=1S/C13H21NO7/c1-12(2)17-6-8-10(19-12)11-9(20-13(3,4)21-11)7(18-8)5-14(15)16/h7-11H,5-6H2,1-4H3/t7-,8+,9-,10+,11+/m0/s1
InChIKey AAFWXJGPCQPIBU-OGBGREFGSA-N
Molecular Weight 303.311 g/mol
SMILES [C@@]12([C@]([C@](CN(=O)=O)(O[C@]3([C@]2(OC(OC3)(C)C)[H])[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0avr-7930000000-a7d152705dd483edd1cf
Source of Spectrum O-34-1324-8
Wiley ID 763428