| SpectraBase Compound ID | Bc16shND5Cz |
|---|---|
| InChI | InChI=1S/C16H25NO3Se/c1-2-20-16(19)17-12-8-4-5-9-14(18)13-21-15-10-6-3-7-11-15/h3,6-7,10-11,14,18H,2,4-5,8-9,12-13H2,1H3,(H,17,19) |
| InChIKey | QSWDOEZKJCSWEM-UHFFFAOYSA-N |
| Mol Weight | 358.35 g/mol |
| Molecular Formula | C16H25NO3Se |
| Exact Mass | 359.099966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0mC0nt1VvK |
|---|---|
| Name | Ethyl 6-hydroxy-7-(phenylseleno)heptylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.099965666 u |
| Formula | C16H25NO3Se |
| InChI | InChI=1S/C16H25NO3Se/c1-2-20-16(19)17-12-8-4-5-9-14(18)13-21-15-10-6-3-7-11-15/h3,6-7,10-11,14,18H,2,4-5,8-9,12-13H2,1H3,(H,17,19) |
| InChIKey | QSWDOEZKJCSWEM-UHFFFAOYSA-N |
| Molecular Weight | 358.352 g/mol |
| SMILES | C(=O)(NCCCCCC(C[Se]C=1C=CC=CC1)O)OCC |