| SpectraBase Spectrum ID |
977gaYjezrM |
| Name |
3-(3-Formylbutyl)-1,2,2-trimethyl-4-cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-10(9-15)5-7-12-13(16)8-6-11(2)14(12,3)4/h9-12H,5-8H2,1-4H3/t10?,11-,12-/m1/s1 |
| InChIKey |
UPKRETODUZBDOX-PQDIPPBSSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
C1([C@@](C(=O)CC[C@]1(C)[H])(CCC(C=O)C)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949933 |
