| SpectraBase Compound ID | DGk0BjE5UvP |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-2-3-6-11-18-16(17)15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,2-3,6,11H2,1H3 |
| InChIKey | FVNMDZYGJFFDBP-UHFFFAOYSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8x53IhAeGO |
|---|---|
| Name | Pentyl-2-naphthodate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-2-3-6-11-18-16(17)15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,2-3,6,11H2,1H3 |
| InChIKey | FVNMDZYGJFFDBP-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C=12C(C=CC(=C2)C(OCCCCC)=O)=CC=CC1 |