| SpectraBase Spectrum ID |
8oNU5JDYAYO |
| Name |
Benzoic acid, 3-(formyloxy)-6-hydroxy-4-methoxy-2-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 3-(formyloxy)-6-hydroxy-4-methoxy-2-pentylbenzoate |
| CAS Registry Number |
124307-90-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-3-4-6-11-16-19(17(23)12-18(25-2)20(16)27-14-22)21(24)26-13-15-9-7-5-8-10-15/h5,7-10,12,14,23H,3-4,6,11,13H2,1-2H3 |
| InChIKey |
HFHHYPLXJBNEAU-UHFFFAOYSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
Oc1c(c(c(OC=O)c(c1)OC)CCCCC)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-5ac56c139f96d9056e8a |
| Source of Spectrum |
B-42-992-11 |
| Wiley ID |
1355471 |
