| SpectraBase Spectrum ID |
D7mGCLLfBjd |
| Name |
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.136159120 u |
| Formula |
C11H20O4 |
| InChI |
InChI=1S/C11H20O4/c1-7(2)3-4-10(13)9-5-8(6-12)15-11(9)14/h7-10,12-13H,3-6H2,1-2H3 |
| InChIKey |
OMQVQJDDMZUVNL-UHFFFAOYSA-N |
| Molecular Weight |
216.277 g/mol |
| SMILES |
C1(OC(CC1C(O)CCC(C)C)CO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891007 |
