| SpectraBase Compound ID | Llc0bqPl4Y1 |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2,(H,12,13) |
| InChIKey | ZHCGPXAMIOKTJU-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54LrekBxklD |
|---|---|
| Name | 5-Phenyl-4-pentynoic acid |
| CAS Registry Number | 3350-92-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2,(H,12,13) |
| InChIKey | ZHCGPXAMIOKTJU-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | OC(CCC#Cc1ccccc1)=O |
| SPLASH | splash10-00mk-0900000000-890b2cb08aeffbda4980 |
| Source of Spectrum | F-66-1067-4n |
| Wiley ID | 1682637 |