| SpectraBase Spectrum ID |
8V4oZI9A12k |
| Name |
Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 3-hydroxy-4-[(phenylmethoxy)carbonyl]-5-propylphenyl ester |
| Alternate Name(s) |
4-[(benzyloxy)carbonyl]-3-hydroxy-5-propylphenyl 3-chloro-2-hydroxy-4-methoxy-6-pentylbenzoate
Benzyl 3-chloroimbricarate
Benzyl 4-(3'-chloro-2'-hydroxy-4'-methoxy-6'-pentylbenzoyloxy)-2-hydroxy-6-propylbenzoate |
| CAS Registry Number |
120092-01-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H33ClO7 |
| InChI |
InChI=1S/C30H33ClO7/c1-4-6-8-14-21-16-24(36-3)27(31)28(33)26(21)30(35)38-22-15-20(11-5-2)25(23(32)17-22)29(34)37-18-19-12-9-7-10-13-19/h7,9-10,12-13,15-17,32-33H,4-6,8,11,14,18H2,1-3H3 |
| InChIKey |
YJWUTCGFITWOQR-UHFFFAOYSA-N |
| Molecular Weight |
541.040 g/mol |
| SMILES |
Oc1cc(OC(c2c(c(c(cc2CCCCC)OC)Cl)O)=O)cc(c1C(OCc1ccccc1)=O)CCC |
| SPLASH |
splash10-0f6x-9040000000-1ef202000da55eb1deac |
| Source of Spectrum |
B-41-1795-7 |
| Wiley ID |
1404643 |
![Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 3-hydroxy-4-[(phenylmethoxy)carbonyl]-5-propylphenyl ester](/api/spectrum/8V4oZI9A12k/structure.png?h=300&w=458 "Benzoic acid, 3-chloro-2-hydroxy-4-methoxy-6-pentyl-, 3-hydroxy-4-[(phenylmethoxy)carbonyl]-5-propylphenyl ester")
