| SpectraBase Spectrum ID |
38DC6NPwoJr |
| Name |
5-[3'-(5''-Acetoxy-1''-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.136553041 u |
| Formula |
C22H22O7 |
| InChI |
InChI=1S/C22H22O7/c1-12(28-13(2)23)6-5-9-16(24)19-20(17-10-11-18(25)29-17)22(27)15-8-4-3-7-14(15)21(19)26/h3-4,7-8,10-12,17,20,24H,5-6,9H2,1-2H3/b19-16- |
| InChIKey |
VOMAHLBAWLFEFR-MNDPQUGUSA-N |
| Molecular Weight |
398.411 g/mol |
| SMILES |
C1(\C(C(C=2C(C1=O)=CC=CC2)=O)=C/(O)CCCC(OC(=O)C)C)C1OC(=O)C=C1 |
![5-[3'-(5''-Acetoxy-1''-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one](/api/spectrum/38DC6NPwoJr/structure.png?h=300&w=458 "5-[3'-(5''-Acetoxy-1''-hydroxyhexylene)-1',2',3',4'-tetrahydro-1',4'-dioxonaphth-2-yl]furan-2(5H)-one")
