| SpectraBase Spectrum ID |
33JDjiXsno3 |
| Name |
4S,6S-Dimethyl-7S-acetoxy-3-nonanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.172544630 u |
| Formula |
C13H24O3 |
| InChI |
InChI=1S/C13H24O3/c1-6-12(15)9(3)8-10(4)13(7-2)16-11(5)14/h9-10,13H,6-8H2,1-5H3/t9-,10-,13-/m0/s1 |
| InChIKey |
AUERNSKMEZMHFW-KWBADKCTSA-N |
| Molecular Weight |
228.332 g/mol |
| SMILES |
CC(O[C@@](CC)([C@@](C)(C[C@](C)(C(CC)=O)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846191 |
