| SpectraBase Spectrum ID |
1oHLdJLr7cx |
| Name |
1-Formyl-6-methylhepta-1,3,6-trien-5-yl benzoate |
| Alternate Name(s) |
(2E,4E)-1-isopropenyl-6-oxo-2,4-hexadienyl benzoate
Benzoic acid (2E,4E)-(S)-1-isopropenyl-6-oxo-hexa-2,4-dienyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O3 |
| InChI |
InChI=1S/C16H16O3/c1-13(2)15(11-7-4-8-12-17)19-16(18)14-9-5-3-6-10-14/h3-12,15H,1H2,2H3/b8-4+,11-7+/t15-/m0/s1 |
| InChIKey |
QPLMFAQOFFVHDQ-INQNMNAPSA-N |
| Molecular Weight |
256.301 g/mol |
| SMILES |
C(O[C@](C(=C)C)(\C=C\C=C\C=O)[H])(=O)c1ccccc1 |
| SPLASH |
splash10-001i-0910000000-d6f99934a6bafcea71f3 |
| Source of Spectrum |
AC-1992-60-42 |
| Wiley ID |
748039 |
