| SpectraBase Spectrum ID |
6Oa3s5qLael |
| Name |
1-Hexanone, 2,2,4-trimethyl-1-phenyl-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-5-12(2)11-15(3,4)14(16)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1 |
| InChIKey |
GGOGCBHTGCQBEF-LBPRGKRZSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C(C(=O)C=1C=CC=CC1)(C[C@](CC)(C)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974128 |
