| SpectraBase Compound ID | Hsuk2GE5lUi |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-16-14(15)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8,12H,4,6-7,9-10H2,1H3 |
| InChIKey | YABSUQZTAXVALU-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zacUeTxZGJ |
|---|---|
| Name | 1-Naphthalenepropanoic acid, 1,2,3,4-tetrahydro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-16-14(15)10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,8,12H,4,6-7,9-10H2,1H3 |
| InChIKey | YABSUQZTAXVALU-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C12=C(CCCC2CCC(=O)OC)C=CC=C1 |