| SpectraBase Compound ID | LnbGOoB8UR7 |
|---|---|
| InChI | InChI=1S/C13H21NO3/c1-4-8(2)13(16)17-10-5-9-6-12(15)11(7-10)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+/t9-,10?,11+,12?/m0/s1 |
| InChIKey | AABSYOQYJYBHOJ-IWMMXTRQSA-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 | GoG6ZM5oUA0 |
|---|---|
| Name | 3-Tigloyloxy-6-hydroxytropane |
| 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)17-10-5-9-6-12(15)11(7-10)14(9)3/h4,9-12,15H,5-7H2,1-3H3/b8-4+/t9-,10?,11+,12?/m0/s1 |
| InChIKey | AABSYOQYJYBHOJ-IWMMXTRQSA-N |
| Molecular Weight | 239.315 g/mol |
| SMILES | C(\C(=C\C)C)(=O)OC1C[C@]2(CC(O)[C@@](C1)(N2C)[H])[H] |