| SpectraBase Compound ID | x3eCLINnFq |
|---|---|
| InChI | InChI=1S/C16H21NO3/c1-3-17-16(10-5-4-9-15(16)19)13-7-6-8-14(11-13)20-12(2)18/h6-8,11,17H,3-5,9-10H2,1-2H3 |
| InChIKey | BHULRXFCWYKONZ-UHFFFAOYSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C16H21NO3 |
| Exact Mass | 275.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ar5REZNgTkW |
|---|---|
| Name | Methoxetamine-m (o-demethyl-) ac P746 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.152143537 u |
| Formula | C16H21NO3 |
| InChI | InChI=1S/C16H21NO3/c1-3-17-16(10-5-4-9-15(16)19)13-7-6-8-14(11-13)20-12(2)18/h6-8,11,17H,3-5,9-10H2,1-2H3 |
| InChIKey | BHULRXFCWYKONZ-UHFFFAOYSA-N |
| Molecular Weight | 275.348 g/mol |
| SMILES | C=1C=CC(OC(C)=O)=CC1C1(CCCCC1=O)NCC |