| SpectraBase Spectrum ID |
AjDriMxVUXO |
| Name |
Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester |
| Alternate Name(s) |
Ethyl 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate |
| CAS Registry Number |
112642-55-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O6 |
| InChI |
InChI=1S/C18H26O6/c1-3-5-6-7-18(23-8-9-24-18)12-13-10-14(19)11-15(20)16(13)17(21)22-4-2/h10-11,19-20H,3-9,12H2,1-2H3 |
| InChIKey |
KHJFYVAUVCFPFP-UHFFFAOYSA-N |
| Molecular Weight |
338.400 g/mol |
| SMILES |
Oc1cc(cc(c1C(=O)OCC)CC1(OCCO1)CCCCC)O |
| SPLASH |
splash10-0006-0901000000-1435d4b14ba01f0ffb9e |
| Source of Spectrum |
B-40-1857-19 |
| Wiley ID |
1333671 |
![Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester](/api/spectrum/AjDriMxVUXO/structure.png?h=300&w=458 "Benzoic acid, 2,4-dihydroxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]-, ethyl ester")
