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3-Tigloyloxy-6-(2-methylpropanoyl)oxy-7-hydroxytropane

View entire compound with spectra: 1 NMR

3-Tigloyloxy-6-(2-methylpropanoyl)oxy-7-hydroxytropane
SpectraBase Compound ID 5Wi5jjs0mT5
InChI InChI=1S/C17H27NO5/c1-6-10(4)17(21)22-11-7-12-14(19)15(13(8-11)18(12)5)23-16(20)9(2)3/h6,9,11-15,19H,7-8H2,1-5H3/b10-6+
InChIKey RZKWUOOSGIFSGP-UXBLZVDNSA-N
Mol Weight 325.41 g/mol
Molecular Formula C17H27NO5
Exact Mass 325.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmzXjF0koKI
Name 3-Tigloyloxy-6-(2-methylpropanoyl)oxy-7-hydroxytropane
Comments Computed using HOSE algorithm
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Exact Mass 325.188922968 u
Formula C17H27NO5
InChI InChI=1S/C17H27NO5/c1-6-10(4)17(21)22-11-7-12-14(19)15(13(8-11)18(12)5)23-16(20)9(2)3/h6,9,11-15,19H,7-8H2,1-5H3/b10-6+
InChIKey RZKWUOOSGIFSGP-UXBLZVDNSA-N
Molecular Weight 325.405 g/mol
SMILES C12N(C(CC(OC(\C(C)=C\C)=O)C2)C(C1OC(C(C)C)=O)O)C