| SpectraBase Spectrum ID |
3Z9ytH1pCZj |
| Name |
Benzoic acid, 3,6-dihydroxy-2-pentyl-4-(phenylmethoxy)-, methyl ester |
| CAS Registry Number |
113487-78-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-3-4-6-11-15-18(20(23)24-2)16(21)12-17(19(15)22)25-13-14-9-7-5-8-10-14/h5,7-10,12,21-22H,3-4,6,11,13H2,1-2H3 |
| InChIKey |
UFXPRQHXFQCUBZ-UHFFFAOYSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
Oc1c(c(c(cc1OCc1ccccc1)O)C(=O)OC)CCCCC |
| SPLASH |
splash10-00di-0093000000-2d6366b8d3e0355097eb |
| Source of Spectrum |
B-40-1460-30 |
| Synonyms |
methyl 4-(benzyloxy)-3,6-dihydroxy-2-pentylbenzoate
Methyl 4-benzyloxy-2,5-dihydroxy-6-pentylbenzoate |
| Wiley ID |
1338024 |
