| SpectraBase Compound ID | G8dUfbJtXrg |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-14-9-5-8(7-11(13)16-3)6-10(15-2)12(9)17-4/h5-6H,7H2,1-4H3 |
| InChIKey | IGXAJUPIDFDTTR-UHFFFAOYSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Fuy0RxdUMg |
|---|---|
| Name | Mescaline-m (deamino-cooh) me P556 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.099773610 u |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-14-9-5-8(7-11(13)16-3)6-10(15-2)12(9)17-4/h5-6H,7H2,1-4H3 |
| InChIKey | IGXAJUPIDFDTTR-UHFFFAOYSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | C=1(C=C(C=C(C1OC)OC)CC(=O)OC)OC |