| SpectraBase Spectrum ID |
3WxOWFvaBU |
| Name |
-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl-2-methylpentanoate |
| Appearance |
Yellow needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5 |
| InChI |
InChI=1S/C21H26O5/c1-5-8-13(2)20(25)26-12-21(3,4)11-16-17(22)14-9-6-7-10-15(14)18(23)19(16)24/h6-7,9-10,13,24H,5,8,11-12H2,1-4H3 |
| InChIKey |
QBNHATHKLISCCY-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP-5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm901545z |
| Molecular Weight |
358.434 g/mol |
| Optical Rotation |
[a]D26 = +0.0086 (c = 1.4, CHCl3) |
| SMILES |
OC1=C(C(c2ccccc2C1=O)=O)CC(COC(C(CCC)C)=O)(C)C |
| SPLASH |
splash10-052o-0971000000-0aab818843d6861d7691 |
| Source of Spectrum |
AF-53-SM6-27 |
| Wiley ID |
1846335 |
