| SpectraBase Compound ID | 7iagFS9SjBc |
|---|---|
| InChI | InChI=1S/C18H29NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6,11-16,20H,7-9H2,1-5H3/b10-6+ |
| InChIKey | OIPVPSXURQHAAI-UXBLZVDNSA-N |
| Mol Weight | 339.43 g/mol |
| Molecular Formula | C18H29NO5 |
| Exact Mass | 339.204573 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBvPtcTeHyp |
|---|---|
| Name | 3-Tigloyloxy-6-isovaleroyloxy-7-hydroxytropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.204573033 u |
| Formula | C18H29NO5 |
| InChI | InChI=1S/C18H29NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6,11-16,20H,7-9H2,1-5H3/b10-6+ |
| InChIKey | OIPVPSXURQHAAI-UXBLZVDNSA-N |
| Molecular Weight | 339.432 g/mol |
| SMILES | C12N(C(CC(OC(\C(C)=C\C)=O)C2)C(C1OC(C(C)CC)=O)O)C |