| SpectraBase Compound ID | LNBVIXzq9rb |
|---|---|
| InChI | InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-12-6-9-5-10(15)7-11(12)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+/t9-,10?,11+,12+/m0/s1 |
| InChIKey | FSTVJNLNEVDORU-CWBHMWDNSA-N |
| Mol Weight | 239.31 g/mol |
| Molecular Formula | C13H21NO3 |
| Exact Mass | 239.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZ5oGatuKXA |
|---|---|
| Name | 3-Hydroxy-6-tigloyloxytropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.152143537 u |
| Formula | C13H21NO3 |
| InChI | InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-12-6-9-5-10(15)7-11(12)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+/t9-,10?,11+,12+/m0/s1 |
| InChIKey | FSTVJNLNEVDORU-CWBHMWDNSA-N |
| Molecular Weight | 239.315 g/mol |
| SMILES | C(O[C@]1([C@@]2(N(C)[C@](C1)(CC(C2)O)[H])[H])[H])(\C(=C\C)C)=O |