| SpectraBase Spectrum ID |
3mCCWqSOwRU |
| Name |
Benzenepropanoic acid, .beta.-oxo-.alpha.-1-propenyl-, methyl ester, (E)- |
| CAS Registry Number |
99683-25-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O3 |
| InChI |
InChI=1S/C13H14O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h3-9,11H,1-2H3/b7-3+ |
| InChIKey |
HUKKPWQBBNOUCD-XVNBXDOJSA-N |
| Molecular Weight |
218.252 g/mol |
| SMILES |
C(C(=O)c1ccccc1)(C(=O)OC)\C=C\C |
| SPLASH |
splash10-0a4i-3900000000-58e77eb941b9d4085da0 |
| Source of Spectrum |
KC-1986-1957-44 |
| Synonyms |
(E)-Methyl 2-benzoylpent-3-enoate
Methyl (3E)-2-benzoyl-3-pentenoate |
| Wiley ID |
1217739 |
