| SpectraBase Spectrum ID |
C76IuKyC0fM |
| Name |
Benzyl 2,4-dihydroxy-6-(2-oxoheptyl)benzoate |
| Alternate Name(s) |
2,4-dihydroxy-6-(2-oxoheptyl)benzoic acid (phenylmethyl) ester
(phenylmethyl) 2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)benzoate |
| CAS Registry Number |
112642-52-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-2-3-5-10-17(22)11-16-12-18(23)13-19(24)20(16)21(25)26-14-15-8-6-4-7-9-15/h4,6-9,12-13,23-24H,2-3,5,10-11,14H2,1H3 |
| InChIKey |
JOHNDQKYDOLOOL-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
Oc1cc(cc(c1C(OCc1ccccc1)=O)CC(=O)CCCCC)O |
| SPLASH |
splash10-0006-9000000000-ee4672abc620457a2cc1 |
| Source of Spectrum |
B-40-1855-12 |
| Wiley ID |
1345924 |
