| SpectraBase Spectrum ID |
I5lIsu8kgz |
| Name |
3-[(5R)-5-Hydroxyheptyl]-4-methyl-2H-furan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-3-11(13)7-5-4-6-10-8-15-12(14)9(10)2/h11,13H,3-8H2,1-2H3/t11-/m1/s1 |
| InChIKey |
RRJPBACYMZWMBB-LLVKDONJSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C1(C(=C(CCCC[C@](O)(CC)[H])CO1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948411 |
![3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one](/api/spectrum/I5lIsu8kgz/structure.png?h=300&w=458 "3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one")
