| SpectraBase Compound ID | KLqLBoSIC0g |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-3-9-17(16-13-8-7-10-14(16)2)20-18(19)15-11-5-4-6-12-15/h3-8,10-13,17H,1,9H2,2H3 |
| InChIKey | WATDAADZEPXGQN-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FLnMeTS5kIc |
|---|---|
| Name | Benzoic acid 1-o-tolyl-but-3-enyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c1-3-9-17(16-13-8-7-10-14(16)2)20-18(19)15-11-5-4-6-12-15/h3-8,10-13,17H,1,9H2,2H3 |
| InChIKey | WATDAADZEPXGQN-UHFFFAOYSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C(OC(c1c(C)cccc1)CC=C)(=O)c1ccccc1 |
| SPLASH | splash10-0a6r-2910000000-2aeea5705d640de6cb14 |
| Source of Spectrum | QC-21-3002-10a |
| Wiley ID | 1688185 |