| SpectraBase Spectrum ID |
D7JrxmmiDEt |
| Name |
Benzoic acid, 3-formyl-6-hydroxy-4-methoxy-2-pentyl-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 3-formyl-6-hydroxy-4-methoxy-2-pentylbenzoate
Ethyl 5-(2-benzyloxy-3-methoxyphenyl)-3-oxopentanoate |
| CAS Registry Number |
124281-27-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-3-4-6-11-16-17(13-22)19(25-2)12-18(23)20(16)21(24)26-14-15-9-7-5-8-10-15/h5,7-10,12-13,23H,3-4,6,11,14H2,1-2H3 |
| InChIKey |
JSHDGIUJCNUKJH-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
Oc1c(c(c(C=O)c(c1)OC)CCCCC)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-6267107d3b31f6e6757c |
| Source of Spectrum |
B-42-991-10 |
| Wiley ID |
1345915 |
