| SpectraBase Spectrum ID |
7Ek4mPT0MRI |
| Name |
Acetic acid, [4-[(Z)-(4-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5(4H)-thiazolylidene)methyl]phenoxy]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.161328495 u |
| Formula |
C22H26N2O4S |
| InChI |
InChI=1S/C22H26N2O4S/c1-21(2)9-15-10-22(3,12-21)13-24(15)20-23-19(27)17(29-20)8-14-4-6-16(7-5-14)28-11-18(25)26/h4-8,15H,9-13H2,1-3H3,(H,25,26)/b17-8- |
| InChIKey |
DQMJPBPIFMLMMQ-IUXPMGMMSA-N |
| Molecular Weight |
414.520 g/mol |
| SMILES |
OC(COC1=CC=C(C=C1)\C=C\1SC(N2CC3(CC(CC2C3)(C)C)C)=NC1=O)=O |
![acetic acid, [4-[(Z)-(4-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5(4H)-thiazolylidene)methyl]phenoxy]-](/api/spectrum/7Ek4mPT0MRI/structure.png?h=300&w=458 "acetic acid, [4-[(Z)-(4-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-5(4H)-thiazolylidene)methyl]phenoxy]-")
