| SpectraBase Spectrum ID |
799QwHkkxsi |
| Name |
Benzoic acid, 2-heptyl-6-hydroxy-4-[[4-methoxy-2-methyl-6-(phenylmethoxy)benzoyl]oxy]-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
596.277403621 u |
| Formula |
C37H40O7 |
| InChI |
InChI=1S/C37H40O7/c1-4-5-6-7-14-19-29-21-31(22-32(38)35(29)36(39)43-25-28-17-12-9-13-18-28)44-37(40)34-26(2)20-30(41-3)23-33(34)42-24-27-15-10-8-11-16-27/h8-13,15-18,20-23,38H,4-7,14,19,24-25H2,1-3H3 |
| InChIKey |
MXGUPKIVBGLGIE-UHFFFAOYSA-N |
| Molecular Weight |
596.720 g/mol |
| SMILES |
C1(C(OC2=CC(O)=C(C(=C2)CCCCCCC)C(OCC=2C=CC=CC2)=O)=O)=C(C=C(C=C1C)OC)OCC1=CC=CC=C1 |
![Benzoic acid, 2-heptyl-6-hydroxy-4-[[4-methoxy-2-methyl-6-(phenylmethoxy)benzoyl]oxy]-, phenylmethyl ester](/api/spectrum/799QwHkkxsi/structure.png?h=300&w=458 "Benzoic acid, 2-heptyl-6-hydroxy-4-[[4-methoxy-2-methyl-6-(phenylmethoxy)benzoyl]oxy]-, phenylmethyl ester")
