| SpectraBase Spectrum ID |
KKT4juIPSKF |
| Name |
5'-pentylbenzene-1',3'-diyl bis(4-benzyloxy-2-hydroxy-6-pentylbenzoate) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C49H56O8 |
| InChI |
InChI=1S/C49H56O8/c1-4-7-12-23-37-26-42(56-48(52)46-38(24-13-8-5-2)28-40(31-44(46)50)54-33-35-19-15-10-16-20-35)30-43(27-37)57-49(53)47-39(25-14-9-6-3)29-41(32-45(47)51)55-34-36-21-17-11-18-22-36/h10-11,15-22,26-32,50-51H,4-9,12-14,23-25,33-34H2,1-3H3 |
| InChIKey |
NMYRLZWEHCSFQK-UHFFFAOYSA-N |
| Molecular Weight |
772.979 g/mol |
| SMILES |
Oc1c(C(Oc2cc(OC(c3c(cc(cc3CCCCC)OCc3ccccc3)O)=O)cc(c2)CCCCC)=O)c(cc(c1)OCc1ccccc1)CCCCC |
| SPLASH |
splash10-0002-0090000000-bc972b28e65c75397b16 |
| Source of Spectrum |
JA-50-1145-0 |
| Synonyms |
3-{[4-(benzyloxy)-2-hydroxy-6-pentylbenzoyl]oxy}-5-pentylphenyl 4-(benzyloxy)-2-hydroxy-6-pentylbenzoate |
| Wiley ID |
1416753 |
