| SpectraBase Compound ID | Ecj7RYYvWBT |
|---|---|
| InChI | InChI=1S/C14H18O3Se/c1-17-14(16)8-7-12(11-15)9-10-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3 |
| InChIKey | QRILXEYYUKXUCN-UHFFFAOYSA-N |
| Mol Weight | 313.27 g/mol |
| Molecular Formula | C14H18O3Se |
| Exact Mass | 314.042116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tiBan5J0w7 |
|---|---|
| Name | Methyl 4-formyl-6-selenophenylhexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.042116437 u |
| Formula | C14H18O3Se |
| InChI | InChI=1S/C14H18O3Se/c1-17-14(16)8-7-12(11-15)9-10-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3 |
| InChIKey | QRILXEYYUKXUCN-UHFFFAOYSA-N |
| Molecular Weight | 313.267 g/mol |
| SMILES | C(=O)(CCC(C=O)CC[Se]C1=CC=CC=C1)OC |