| SpectraBase Spectrum ID |
CK5hOG4XMSN |
| Name |
9-[(Diethylamino)methyl]-8,9-dihydro-4,9-dimethyl-2H,10H-benzo[1,2-B:3,4-B']dipyran-2,10-dione, mercaptosuccinate(1:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.161388064 u |
| Formula |
C23H29NO8S |
| InChI |
InChI=1S/C19H23NO4.C4H6O4S/c1-5-20(6-2)10-19(4)11-23-14-8-7-13-12(3)9-15(21)24-17(13)16(14)18(19)22;5-3(6)1-2(9)4(7)8/h7-9H,5-6,10-11H2,1-4H3;2,9H,1H2,(H,5,6)(H,7,8) |
| InChIKey |
YMSBBHVQAOQMAH-UHFFFAOYSA-N |
| Molecular Weight |
479.544 g/mol |
| SMILES |
OC(CC(C(O)=O)S)=O.C12=CC=C3OCC(C(C3=C1OC(C=C2C)=O)=O)(CN(CC)CC)C |
![9-[(diethylamino)methyl]-8,9-dihydro-4,9-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-2,10-dione, mercaptosuccinate(1:1)](/api/spectrum/CK5hOG4XMSN/structure.png?h=300&w=458 "9-[(diethylamino)methyl]-8,9-dihydro-4,9-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-2,10-dione, mercaptosuccinate(1:1)")
