| SpectraBase Spectrum ID |
HoRKW4TNpe1 |
| Name |
2-Butanoyl-3-hydroxy-5-(3-thianyl)-2-cyclohexen-1-one |
| Alternate Name(s) |
3-Butyryl-5-tetrahydro-2H-thiopyran-3-yl-1,2-cyclohexanedione |
| Comments |
Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820948 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3S |
| InChI |
InChI=1S/C15H22O3S/c1-2-4-13(16)12-7-11(8-14(17)15(12)18)10-5-3-6-19-9-10/h10-12H,2-9H2,1H3 |
| InChIKey |
KBUFNNZTKLJSKD-UHFFFAOYSA-N |
| Molecular Weight |
282.398 g/mol |
| SMILES |
C1CCC(CS1)C1CC(C(C(C1)C(=O)CCC)=O)=O |
| SPLASH |
splash10-00lr-9600000000-3bcd03b9f787a5dfb01c |
| Source of Spectrum |
CM-1999-5602-0 |
| Wiley ID |
467956 |
