| SpectraBase Spectrum ID |
5KXlRVQrKw0 |
| Name |
2-Methylpentyl hexanoate |
| 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/c1-4-6-8-11(12)13-9-10(3)7-5-2/h10H,4-9H2,1-3H3/t10-/m1/s1 |
| InChIKey |
YNIILDZXXJZOMP-SNVBAGLBSA-N |
| Molecular Weight |
186.295 g/mol |
| Nominal Mass |
186 u |
| SMILES |
CCCCC(OC[C@@](CCC)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992073 |
