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6-(.alpha.-Methylbutyryloxy)-3-tigloyloxytropane

View entire compound with spectra: 1 NMR

6-(.alpha.-Methylbutyryloxy)-3-tigloyloxytropane
SpectraBase Compound ID I9NgBgjwfTC
InChI InChI=1S/C18H29NO4/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/h6,12-16H,7-10H2,1-5H3/b11-6+/t12?,13-,14?,15+,16?/m0/s1
InChIKey LWJJYAYQOTXATC-FVOVJAJASA-N
Mol Weight 323.43 g/mol
Molecular Formula C18H29NO4
Exact Mass 323.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzqTtJDlOVg
Name 6-(.alpha.-Methylbutyryloxy)-3-tigloyloxytropane
Comments Computed using HOSE algorithm
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Exact Mass 323.209658414 u
Formula C18H29NO4
InChI InChI=1S/C18H29NO4/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/h6,12-16H,7-10H2,1-5H3/b11-6+/t12?,13-,14?,15+,16?/m0/s1
InChIKey LWJJYAYQOTXATC-FVOVJAJASA-N
Molecular Weight 323.433 g/mol
SMILES CC(CC)C(=O)OC1C[C@@]2(CC(OC(\C(=C\C)C)=O)C[C@]1(N2C)[H])[H]