| SpectraBase Spectrum ID |
2J6LLEeaw8k |
| Name |
(phenylmethyl) 4-methoxy-3,6-bis(oxidanyl)-2-pentyl-benzoate |
| Alternate Name(s) |
2-amyl-3,6-dihydroxy-4-methoxy-benzoic acid benzyl ester
3,6-dihydroxy-4-methoxy-2-pentylbenzoic acid (phenylmethyl) ester
benzyl 3,6-dihydroxy-4-methoxy-2-pentyl-benzoate |
| CAS Registry Number |
124281-31-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-3-4-6-11-15-18(16(21)12-17(24-2)19(15)22)20(23)25-13-14-9-7-5-8-10-14/h5,7-10,12,21-22H,3-4,6,11,13H2,1-2H3 |
| InChIKey |
KVFBXXOZIUUGFD-UHFFFAOYSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
Oc1c(c(c(cc1OC)O)C(OCc1ccccc1)=O)CCCCC |
| SPLASH |
splash10-0006-9001000000-e05fd13da7a788ef4196 |
| Source of Spectrum |
B-42-993-15 |
| Wiley ID |
1338000 |
