| SpectraBase Spectrum ID |
BtKLrTjjqqa |
| Name |
4-(4-Acetyl-5-oxo-hex-1-ynyl)-benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-11(17)15(12(2)18)6-4-5-13-7-9-14(10-8-13)16(19)20-3/h7-10,15H,6H2,1-3H3 |
| InChIKey |
UYLBWZWKWNLSCA-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C(#Cc1ccc(C(=O)OC)cc1)CC(C(=O)C)C(=O)C |
| SPLASH |
splash10-001i-0090000000-98f90c5a39847615df4d |
| Source of Spectrum |
F-59-4669-5a |
| Synonyms |
4-(Methoxycarbonyl)phenyl-1,1-diacetylbut-3-yne |
| Wiley ID |
1678154 |
