| SpectraBase Spectrum ID |
4sTmDZX9otC |
| Name |
Pentanoic acid, 2,4-dimethyl-, 1,1-dimethylethyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-8(2)7-9(3)10(12)13-11(4,5)6/h8-9H,7H2,1-6H3/t9-/m0/s1 |
| InChIKey |
PJCVELDASPSMIA-VIFPVBQESA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
C(OC(C)(C)C)([C@](CC(C)C)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982632 |
