| SpectraBase Compound ID | EU3enis4680 |
|---|---|
| InChI | InChI=1S/C9H11N.C8H8O3/c1-2-4-8(5-3-1)9-6-7-10-9;9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9-10H,6-7H2;1-5,7,9H,(H,10,11) |
| InChIKey | BIGURDONSLXQPX-UHFFFAOYSA-N |
| Mol Weight | 285.34 g/mol |
| Molecular Formula | C17H19NO3 |
| Exact Mass | 285.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwQMSfYBOrF |
|---|---|
| Name | 2-Phenylazetidine, mandelate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.136493473 u |
| Formula | C17H19NO3 |
| InChI | InChI=1S/C9H11N.C8H8O3/c1-2-4-8(5-3-1)9-6-7-10-9;9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9-10H,6-7H2;1-5,7,9H,(H,10,11) |
| InChIKey | BIGURDONSLXQPX-UHFFFAOYSA-N |
| Molecular Weight | 285.343 g/mol |
| SMILES | N1CCC1C=1C=CC=CC1.OC(C(O)=O)C=1C=CC=CC1 |