| SpectraBase Compound ID | 5p6MIIgFJcS |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | QVLFQIDGIUBVLT-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 | 7JSayG4xGgJ |
|---|---|
| Name | But-3-ynyl benzoate |
| Alternate Name(s) | benzoic acid but-3-ynyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | QVLFQIDGIUBVLT-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(c1ccccc1)(=O)OCCC#C |
| SPLASH | splash10-0a4i-4900000000-57ff144ede63358ce0de |
| Source of Spectrum | K1-2004-3451-1 |
| Wiley ID | 1561339 |