| SpectraBase Spectrum ID |
13ty8vEgreZ |
| Name |
1-Propanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl]-2,2-dimethyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.187149322 u |
| Formula |
C21H28N2O2S |
| InChI |
InChI=1S/C21H28N2O2S/c1-21(2,3)19(24)18-17(15-9-11-16(25-4)12-10-15)22-20(26-18)23-13-7-5-6-8-14-23/h9-12H,5-8,13-14H2,1-4H3 |
| InChIKey |
MHGYKBDGCMZJDK-UHFFFAOYSA-N |
| Molecular Weight |
372.527 g/mol |
| SMILES |
C1(=C(N=C(S1)N1CCCCCC1)C=1C=CC(=CC1)OC)C(C(C)(C)C)=O |
![1-Propanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl]-2,2-dimethyl-](/api/spectrum/13ty8vEgreZ/structure.png?h=300&w=458 "1-Propanone, 1-[2-(hexahydro-1H-azepin-1-yl)-4-(4-methoxyphenyl)-5-thiazolyl]-2,2-dimethyl-")
