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3-[(Dibutylamino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 2 NMR

3-[(Dibutylamino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID I6OB7RUJTd4
InChI InChI=1S/C16H27NO4/c1-3-5-9-17(10-6-4-2)15(18)13-11-7-8-12(21-11)14(13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1
InChIKey DEORFXSAFNFIFY-REWJHTLYSA-N
Mol Weight 297.39 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4o4RJfmnzsO
Name 3-[(Dibutylamino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.194008349 u
Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-3-5-9-17(10-6-4-2)15(18)13-11-7-8-12(21-11)14(13)16(19)20/h11-14H,3-10H2,1-2H3,(H,19,20)/t11-,12+,13+,14+/m0/s1
InChIKey DEORFXSAFNFIFY-REWJHTLYSA-N
SMILES OC([C@]1([C@@]([C@]2(O[C@@]1(CC2)[H])[H])(C(=O)N(CCCC)CCCC)[H])[H])=O