| SpectraBase Spectrum ID |
2E4sOLzl8eA |
| Name |
Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, phenylmethyl ester |
| CAS Registry Number |
112642-58-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H28O6 |
| InChI |
InChI=1S/C23H28O6/c1-2-3-7-10-23(28-11-12-29-23)15-18-13-19(24)14-20(25)21(18)22(26)27-16-17-8-5-4-6-9-17/h4-6,8-9,13-14,24-25H,2-3,7,10-12,15-16H2,1H3 |
| InChIKey |
LYKKUDBOXZCWOW-UHFFFAOYSA-N |
| Molecular Weight |
400.471 g/mol |
| SMILES |
Oc1cc(cc(c1C(OCc1ccccc1)=O)CC1(OCCO1)CCCCC)O |
| SPLASH |
splash10-0006-0900000000-018e6128eac5d8fc2b36 |
| Source of Spectrum |
B-40-1858-22 |
| Synonyms |
benzyl 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate
Benzyl 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolanyl)methyl]benzoate |
| Wiley ID |
1369476 |
![Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, phenylmethyl ester](/api/spectrum/2E4sOLzl8eA/structure.png?h=300&w=458 "Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, phenylmethyl ester")
