| SpectraBase Compound ID | FTIYEpJbZ8w |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h5H,1,3H2,2H3/t5-/m0/s1 |
| InChIKey | KYLUHLJIAMFYKW-YFKPBYRVSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8UyI6OlpnQs |
|---|---|
| Name | (5S)-5-Methyl-3-methylene-2-oxolanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h5H,1,3H2,2H3/t5-/m0/s1 |
| InChIKey | KYLUHLJIAMFYKW-YFKPBYRVSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C1(C(C[C@@](O1)(C)[H])=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976358 |