| SpectraBase Spectrum ID |
AYwljhifT3A |
| Name |
3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl-2-methyl Octanoate |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H32O5 |
| InChI |
InChI=1S/C24H32O5/c1-5-6-7-8-11-16(2)23(28)29-15-24(3,4)14-19-20(25)17-12-9-10-13-18(17)21(26)22(19)27/h9-10,12-13,16,27H,5-8,11,14-15H2,1-4H3 |
| InChIKey |
GZQCTONQLYWDCY-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP-5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm901545z |
| Molecular Weight |
400.515 g/mol |
| Optical Rotation |
[a]26D = 0.0379 (c = 2.11, CHCl3) |
| SMILES |
OC1=C(C(c2ccccc2C1=O)=O)CC(COC(C(CCCCCC)C)=O)(C)C |
| SPLASH |
splash10-052o-0970100000-2181d21d20b48f49c0d9 |
| Source of Spectrum |
AF-53-SM8-32 |
| Wiley ID |
1846339 |
