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4,5-Dimethoxy-2-nitrobenzyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl carbonate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4,5-Dimethoxy-2-nitrobenzyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl carbonate
SpectraBase Compound ID LP3YB14UUfh
InChI InChI=1S/C18H25NO9/c1-18(2)27-11-13(28-18)6-5-7-25-17(20)26-10-12-8-15(23-3)16(24-4)9-14(12)19(21)22/h8-9,13H,5-7,10-11H2,1-4H3
InChIKey HLQCYTDYNGNDDJ-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C18H25NO9
Exact Mass 399.152931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JArTWPTCJpb
Name 4,5-Dimethoxy-2-nitrobenzyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl carbonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.152931380 u
Formula C18H25NO9
InChI InChI=1S/C18H25NO9/c1-18(2)27-11-13(28-18)6-5-7-25-17(20)26-10-12-8-15(23-3)16(24-4)9-14(12)19(21)22/h8-9,13H,5-7,10-11H2,1-4H3
InChIKey HLQCYTDYNGNDDJ-UHFFFAOYSA-N
Molecular Weight 399.396 g/mol
SMILES C1OC(OC1CCCOC(=O)OCc1cc(c(cc1N(=O)=O)OC)OC)(C)C