| SpectraBase Spectrum ID |
5Ds7CKSypDa |
| Name |
(4S,5R)-cis-Dihydro-4-hydroxymethyl-5-pentyl-2(3H)-furanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.125594437 u |
| Formula |
C10H18O3 |
| InChI |
InChI=1S/C10H18O3/c1-2-3-4-5-9-8(7-11)6-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1 |
| InChIKey |
OKPUTBQXAACJGU-DTWKUNHWSA-N |
| Molecular Weight |
186.251 g/mol |
| SMILES |
C1(O[C@@]([C@@](C1)(CO)[H])(CCCCC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80034 |