| SpectraBase Spectrum ID |
4ZCevaZQhoQ |
| Name |
Benzoic acid, 3,6-dihydroxy-4-(phenylmethoxy)-2-propyl-, methyl ester |
| CAS Registry Number |
113487-77-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-3-7-13-16(18(21)22-2)14(19)10-15(17(13)20)23-11-12-8-5-4-6-9-12/h4-6,8-10,19-20H,3,7,11H2,1-2H3 |
| InChIKey |
AKFRXULDDYLGHX-UHFFFAOYSA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
Oc1c(c(c(cc1OCc1ccccc1)O)C(=O)OC)CCC |
| SPLASH |
splash10-0006-0902000000-7796820847a69d8d589a |
| Source of Spectrum |
B-40-1460-29 |
| Synonyms |
methyl 4-(benzyloxy)-3,6-dihydroxy-2-propylbenzoate
Methyl 4-benzyloxy-2,5-dihydroxy-6-propylbenzoate |
| Wiley ID |
1316801 |
