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1,4:3,6-Dianhydro-D-glucitol 5-mononitrate

View entire compound with spectra: 2 MS (GC)

1,4:3,6-Dianhydro-D-glucitol 5-mononitrate
SpectraBase Compound ID 4Q4agpbPLJF
InChI InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey YWXYYJSYQOXTPL-SLPGGIOYSA-N
Mol Weight 191.14 g/mol
Molecular Formula C6H9NO6
Exact Mass 191.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPLY1IM6y4P
Name 1,4:3,6-Dianhydro-D-glucitol 5-mononitrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO6
InChI InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey YWXYYJSYQOXTPL-SLPGGIOYSA-N
Molecular Weight 191.139 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@](ON(=O)=O)(CO2)[H])(OC1)[H])[H])[H]
SPLASH splash10-00kf-9100000000-54ccb7d0368e88c5843d
Source of Spectrum SO-0-1033-5
Synonyms Isosorbide-5-nitrate [(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate [(3S,3aR,6R,6aS)-3-oxidanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Wiley ID 1545190