| SpectraBase Spectrum ID |
4JhBccSoFy0 |
| Name |
Benzoic acid, 3-formyl-4,6-dihydroxy-2-pentyl-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-formyl-4,6-dihydroxy-2-pentylbenzoate |
| CAS Registry Number |
124281-25-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O5 |
| InChI |
InChI=1S/C15H20O5/c1-3-5-6-7-10-11(9-16)12(17)8-13(18)14(10)15(19)20-4-2/h8-9,17-18H,3-7H2,1-2H3 |
| InChIKey |
NOQCDOMZTXAOMW-UHFFFAOYSA-N |
| Molecular Weight |
280.320 g/mol |
| SMILES |
Oc1cc(c(c(c1C(=O)OCC)CCCCC)C=O)O |
| SPLASH |
splash10-014i-0090000000-d37de3d7215fef8cbc7a |
| Source of Spectrum |
B-42-991-8 |
| Wiley ID |
1283811 |
