| SpectraBase Compound ID | 1f6tLQ5HGNY |
|---|---|
| InChI | InChI=1S/C17H16O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,18,19) |
| InChIKey | BQDCSHJYWYPBLU-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMP2n5hTifj |
|---|---|
| Name | 4-(1,2,3,4-Tetrahydro-1-naphthyl)benzenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c18-17(19)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,18,19) |
| InChIKey | BQDCSHJYWYPBLU-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C=12C(C3=CC=C(C(=O)O)C=C3)CCCC1C=CC=C2 |