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

*Links on SpectraBase are not permalinks.

2-Methyl 5-((3ar,5R,5as,8as,8br)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-B:4',5'-D]pyran-5-yl)methyl pyridine-2,5-dicarboxylate

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

2-Methyl 5-((3ar,5R,5as,8as,8br)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-B:4',5'-D]pyran-5-yl)methyl pyridine-2,5-dicarboxylate
SpectraBase Compound ID F1NwlEOOMxJ
InChI InChI=1S/C20H25NO9/c1-19(2)27-13-12(26-18-15(14(13)28-19)29-20(3,4)30-18)9-25-16(22)10-6-7-11(21-8-10)17(23)24-5/h6-8,12-15,18H,9H2,1-5H3/t12-,13+,14+,15-,18-/m1/s1
InChIKey ILYMGDJCAPZLKB-SUKQMUEJSA-N
Mol Weight 423.42 g/mol
Molecular Formula C20H25NO9
Exact Mass 423.152931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 81veu1Lwgkm
Name 2-Methyl 5-((3ar,5R,5as,8as,8br)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-B:4',5'-D]pyran-5-yl)methyl pyridine-2,5-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.152931380 u
Formula C20H25NO9
InChI InChI=1S/C20H25NO9/c1-19(2)27-13-12(26-18-15(14(13)28-19)29-20(3,4)30-18)9-25-16(22)10-6-7-11(21-8-10)17(23)24-5/h6-8,12-15,18H,9H2,1-5H3/t12-,13+,14+,15-,18-/m1/s1
InChIKey ILYMGDJCAPZLKB-SUKQMUEJSA-N
Molecular Weight 423.418 g/mol
SMILES CC1(C)O[C@]2([C@@](COC(C=3C=NC(=CC3)C(OC)=O)=O)(O[C@]3([C@@]([C@]2(O1)[H])(OC(C)(C)O3)[H])[H])[H])[H]