| SpectraBase Compound ID | JqgS32c4H5F |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3 |
| InChIKey | ONFNCARYSQWBPI-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 | 4nqIbmgZNhW |
|---|---|
| Name | 1-Naphthaleneacetic acid, butyl 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/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3 |
| InChIKey | ONFNCARYSQWBPI-UHFFFAOYSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCC |