| SpectraBase Compound ID | 6vklwb6hy5P |
|---|---|
| InChI | InChI=1S/C13H19NO3/c1-4-7(2)13(15)16-8-5-9-11-12(17-11)10(6-8)14(9)3/h4,8-12H,5-6H2,1-3H3/b7-4+/t8?,9-,10+,11?,12? |
| InChIKey | MAHIMWLGPHYDSP-AVIKALCXSA-N |
| Mol Weight | 237.3 g/mol |
| Molecular Formula | C13H19NO3 |
| Exact Mass | 237.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4QkOeRLrR8 |
|---|---|
| Name | 3-Tigloyloxy-6,7-epoxytropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.136493473 u |
| Formula | C13H19NO3 |
| InChI | InChI=1S/C13H19NO3/c1-4-7(2)13(15)16-8-5-9-11-12(17-11)10(6-8)14(9)3/h4,8-12H,5-6H2,1-3H3/b7-4+/t8?,9-,10+,11?,12? |
| InChIKey | MAHIMWLGPHYDSP-AVIKALCXSA-N |
| Molecular Weight | 237.299 g/mol |
| SMILES | CN1[C@]2(C3OC3[C@@]1(CC(C2)OC(\C(=C\C)C)=O)[H])[H] |