| SpectraBase Spectrum ID |
GILErXdeAt9 |
| Name |
Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-pentyl-4-[(phenylmethoxy)carbonyl]phenyl ester |
| CAS Registry Number |
111699-63-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H42O7 |
| InChI |
InChI=1S/C34H42O7/c1-4-6-8-9-14-18-25-19-27(39-3)21-29(35)32(25)34(38)41-28-20-26(17-11-7-5-2)31(30(36)22-28)33(37)40-23-24-15-12-10-13-16-24/h10,12-13,15-16,19-22,35-36H,4-9,11,14,17-18,23H2,1-3H3 |
| InChIKey |
FEZIKUXKNLFICQ-UHFFFAOYSA-N |
| Molecular Weight |
562.703 g/mol |
| SMILES |
Oc1cc(OC(c2c(cc(cc2CCCCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCC |
| SPLASH |
splash10-0006-9000000000-bb3448228d63b5128444 |
| Source of Spectrum |
B-40-429-18 |
| Synonyms |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 2-heptyl-6-hydroxy-4-methoxybenzoate |
| Wiley ID |
1406968 |
![Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-pentyl-4-[(phenylmethoxy)carbonyl]phenyl ester](/api/spectrum/GILErXdeAt9/structure.png?h=300&w=458 "Benzoic acid, 2-heptyl-6-hydroxy-4-methoxy-, 3-hydroxy-5-pentyl-4-[(phenylmethoxy)carbonyl]phenyl ester")
