| SpectraBase Spectrum ID |
5BZSgCh7se |
| Name |
2,2,4-trimethyl-3-(1-oxobutyl)-1-cyclohexanone |
| Alternate Name(s) |
3-Butanoyl-2,2,4-trimethyl-cyclohexan-1-one
3-Butanoyl-2,2,4-trimethyl-cyclohexanone
3-Butyryl-2,2,4-trimethyl-cyclohexanone |
| CAS Registry Number |
53398-15-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h9,12H,5-8H2,1-4H3 |
| InChIKey |
KWKYATZRTCMSLQ-UHFFFAOYSA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
C1(C(C(=O)CCC)C(C)CCC1=O)(C)C |
| SPLASH |
splash10-05bg-9200000000-bb8197020f26143c3ed9 |
| Source of Spectrum |
H-56-2035-16 |
| Wiley ID |
1209512 |
