| SpectraBase Spectrum ID |
HPHG8be1qsI |
| Name |
Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester |
| CAS Registry Number |
111699-61-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H34O7 |
| InChI |
InChI=1S/C30H34O7/c1-4-5-6-7-11-14-22-16-23(35-3)17-26(32)28(22)30(34)37-24-15-20(2)27(25(31)18-24)29(33)36-19-21-12-9-8-10-13-21/h8-10,12-13,15-18,31-32H,4-7,11,14,19H2,1-3H3 |
| InChIKey |
RKMCFIHWIQJXEU-UHFFFAOYSA-N |
| Molecular Weight |
506.595 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CCCCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)C |
| SPLASH |
splash10-0006-9020000000-4760e9b59949fe7ff221 |
| Source of Spectrum |
B-40-428-16 |
| Synonyms |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenyl 2-heptyl-6-hydroxy-4-methoxybenzoate
Benzyl isosphaerate |
| Wiley ID |
1399904 |
![Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester](/api/spectrum/HPHG8be1qsI/structure.png?h=300&w=458 "Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester")
