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(1S,4S,5S,8S,9S)-9-[4'-(HEPT-6''-YN-YL)-1H-1',2',3'-TRIAZOL-1'-YL]-4-(HYDROXYMETHYL)-3,3-DIMETHYL-2,6-DIOXA-BICYCLO-[3.2.2]-NONAN-8-OL

View entire compound with spectra: 1 NMR

(1S,4S,5S,8S,9S)-9-[4'-(HEPT-6''-YN-YL)-1H-1',2',3'-TRIAZOL-1'-YL]-4-(HYDROXYMETHYL)-3,3-DIMETHYL-2,6-DIOXA-BICYCLO-[3.2.2]-NONAN-8-OL
SpectraBase Compound ID F0L3ZkZAgpI
InChI InChI=1S/C19H29N3O4/c1-4-5-6-7-8-9-13-10-22(21-20-13)16-17(24)15-12-25-18(16)14(11-23)19(2,3)26-15/h1,10,14-18,23-24H,5-9,11-12H2,2-3H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey PDFPGBHGOJCCCC-TXTZMMAHSA-N
Mol Weight 363.46 g/mol
Molecular Formula C19H29N3O4
Exact Mass 363.215806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GM0UIwQv0t
Name (1S,4S,5S,8S,9S)-9-[4'-(HEPT-6''-YN-YL)-1H-1',2',3'-TRIAZOL-1'-YL]-4-(HYDROXYMETHYL)-3,3-DIMETHYL-2,6-DIOXA-BICYCLO-[3.2.2]-NONAN-8-OL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29N3O4
InChI InChI=1S/C19H29N3O4/c1-4-5-6-7-8-9-13-10-22(21-20-13)16-17(24)15-12-25-18(16)14(11-23)19(2,3)26-15/h1,10,14-18,23-24H,5-9,11-12H2,2-3H3/t14-,15-,16-,17+,18-/m0/s1
InChIKey PDFPGBHGOJCCCC-TXTZMMAHSA-N
Literature Reference Author L.BOUCHE,H.U.REISSIG
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3697(2014)
Literature Reference DOI 10.1002/ejoc.201402191
Molecular Weight 363.457 g/mol
Solvent CD3OD
Source File Reference UWIR18956