For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

.alpha.-D-Allofuranose, 5-deoxy-1,2-o-(1-methylethylidene)-5-(nitromethyl)-3-o-(phenylmethyl)-, 6-benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

.alpha.-D-Allofuranose, 5-deoxy-1,2-o-(1-methylethylidene)-5-(nitromethyl)-3-o-(phenylmethyl)-, 6-benzoate
SpectraBase Compound ID BDCNx26fooO
InChI InChI=1S/C24H27NO8/c1-24(2)32-21-20(29-14-16-9-5-3-6-10-16)19(31-23(21)33-24)18(13-25(27)28)15-30-22(26)17-11-7-4-8-12-17/h3-12,18-21,23H,13-15H2,1-2H3/t18-,19-,20-,21-,23-/m1/s1
InChIKey ONTCNHQDVXOXML-XARADAHVSA-N
Mol Weight 457.48 g/mol
Molecular Formula C24H27NO8
Exact Mass 457.173667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4UYk7CnmmMl
Name .alpha.-D-Allofuranose, 5-deoxy-1,2-o-(1-methylethylidene)-5-(nitromethyl)-3-o-(phenylmethyl)-, 6-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.173666825 u
Formula C24H27NO8
InChI InChI=1S/C24H27NO8/c1-24(2)32-21-20(29-14-16-9-5-3-6-10-16)19(31-23(21)33-24)18(13-25(27)28)15-30-22(26)17-11-7-4-8-12-17/h3-12,18-21,23H,13-15H2,1-2H3/t18-,19-,20-,21-,23-/m1/s1
InChIKey ONTCNHQDVXOXML-XARADAHVSA-N
Molecular Weight 457.479 g/mol
SMILES [C@]12([C@](O[C@@]([C@]2(OCC2=CC=CC=C2)[H])([C@](CN(=O)=O)(COC(=O)C=2C=CC=CC2)[H])[H])(OC(O1)(C)C)[H])[H]