| SpectraBase Compound ID | Bhr6kfOUac1 |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-3-7-12(2)18-16(17)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12H,3,7H2,1-2H3 |
| InChIKey | OYDVDEPSKKOBJW-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 | GvDHU8aktod |
|---|---|
| Name | 1-Naphthalenecarboxylic acid 2-pentyl ester |
| 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/c1-3-7-12(2)18-16(17)15-11-6-9-13-8-4-5-10-14(13)15/h4-6,8-12H,3,7H2,1-2H3 |
| InChIKey | OYDVDEPSKKOBJW-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C=12C(C(OC(CCC)C)=O)=CC=CC2=CC=CC1 |