| SpectraBase Compound ID | Kv268Q35gdM |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-4-3-5(2)8-6(4)7/h4-7H,3H2,1-2H3/t4-,5+,6-/m1/s1 |
| InChIKey | ZHRCBXSCBOYGER-NGJCXOISSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IoNRsFBvJOk |
|---|---|
| Name | (2R,4S)-Dimethylbutyrolactol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-4-3-5(2)8-6(4)7/h4-7H,3H2,1-2H3/t4-,5+,6-/m1/s1 |
| InChIKey | ZHRCBXSCBOYGER-NGJCXOISSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | [C@@]1(O[C@](C[C@]1(C)[H])(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810338 |