| SpectraBase Spectrum ID |
9ryUlRNmxNm |
| Name |
4,6-Dibenzyloxy-3-chloro-2-pentylbenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H27ClO4 |
| InChI |
InChI=1S/C26H27ClO4/c1-2-3-6-15-21-24(26(28)29)22(30-17-19-11-7-4-8-12-19)16-23(25(21)27)31-18-20-13-9-5-10-14-20/h4-5,7-14,16H,2-3,6,15,17-18H2,1H3,(H,28,29) |
| InChIKey |
YRFQHFFSYXWAAU-UHFFFAOYSA-N |
| Molecular Weight |
438.951 g/mol |
| SMILES |
OC(c1c(c(Cl)c(cc1OCc1ccccc1)OCc1ccccc1)CCCCC)=O |
| SPLASH |
splash10-0006-9000000000-cf6a04cb5ec28021cb2f |
| Source of Spectrum |
JA-50-971-0 |
| Synonyms |
4,6-bis(benzyloxy)-3-chloro-2-pentylbenzoic acid |
| Wiley ID |
1384204 |
