| SpectraBase Spectrum ID |
9j4DF02eRHs |
| Name |
(1-((3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl)- cyclohexyl)methyl Octanoate |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O5 |
| InChI |
InChI=1S/C26H34O5/c1-2-3-4-5-7-14-22(27)31-18-26(15-10-6-11-16-26)17-21-23(28)19-12-8-9-13-20(19)24(29)25(21)30/h8-9,12-13,30H,2-7,10-11,14-18H2,1H3 |
| InChIKey |
XNFRMLAJOMMETP-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP-5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm901545z |
| Molecular Weight |
426.553 g/mol |
| SMILES |
OC1=C(C(c2ccccc2C1=O)=O)CC1(COC(CCCCCCC)=O)CCCCC1 |
| SPLASH |
splash10-001i-0490000000-ca0820f409960d2f6344 |
| Source of Spectrum |
AF-53-SM13-46 |
| Wiley ID |
1846346 |
