| SpectraBase Spectrum ID |
HKkUsusPhFi |
| Name |
(S)-3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl 2-Methylbutanoate |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-5-12(2)19(24)25-11-20(3,4)10-15-16(21)13-8-6-7-9-14(13)17(22)18(15)23/h6-9,12,23H,5,10-11H2,1-4H3/t12-/m0/s1 |
| InChIKey |
QLZFMDHCQZUMRS-LBPRGKRZSA-N |
| Instrument Name |
GCMS-QP-5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm901545z |
| Molecular Weight |
344.407 g/mol |
| Optical Rotation |
[a]D26 = +4.3 (c = 0.6, CHCl3) |
| SMILES |
OC1=C(C(c2ccccc2C1=O)=O)CC(COC([C@](CC)(C)[H])=O)(C)C |
| SPLASH |
splash10-052r-0940000000-b7d265a722deac2ef9da |
| Source of Spectrum |
AF-53-SM5-25 |
| Wiley ID |
1846333 |
