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3,6-Ditigloyloxytropane

View entire compound with spectra: 1 NMR

3,6-Ditigloyloxytropane
SpectraBase Compound ID H1CZJF0du7b
InChI InChI=1S/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14?,15+,16?/m1/s1
InChIKey MJJVORBCNQQRMU-VNNLCBSUSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGi7U3hxgB3
Name 3,6-Ditigloyloxytropane
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-6-11(3)17(20)22-14-8-13-9-16(15(10-14)19(13)5)23-18(21)12(4)7-2/h6-7,13-16H,8-10H2,1-5H3/b11-6+,12-7+/t13-,14?,15+,16?/m1/s1
InChIKey MJJVORBCNQQRMU-VNNLCBSUSA-N
Molecular Weight 321.417 g/mol
SMILES [C@]12(CC(C[C@](N2C)(C(C1)OC(\C(=C\C)C)=O)[H])OC(\C(=C\C)C)=O)[H]