| SpectraBase Compound ID | 5va6IZtrkXw |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2 |
| InChIKey | XGYMSTGTNFBNFT-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D27NNd6lm8K |
|---|---|
| Name | 4-PENTYNOIC ACID, PHENYLMETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2 |
| InChIKey | XGYMSTGTNFBNFT-UHFFFAOYSA-N |
| Molecular Weight | 188.0834 |
| SMILES | C#CCCC(OCc1ccccc1)=O |
| SPLASH | splash10-0006-9300000000-c88c20418a927df1ba45 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |