| SpectraBase Compound ID | jFkFEUzKZ1 |
|---|---|
| InChI | InChI=1S/C15H18O2/c1-15(2,3)17-14(16)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,8,12H2,1-3H3 |
| InChIKey | RQJKHEWUZVEHAS-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8OlfcmqMKc3 |
|---|---|
| Name | 5-Phenyl-pent-4-ynoic acid - T-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c1-15(2,3)17-14(16)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,8,12H2,1-3H3 |
| InChIKey | RQJKHEWUZVEHAS-UHFFFAOYSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | C(#CCCC(OC(C)(C)C)=O)C=1C=CC=CC1 |