| SpectraBase Compound ID | BHBW4rVsauG |
|---|---|
| InChI | InChI=1S/C6H6O2/c1-3-5-4(2)6(7)8-5/h1,4-5H,2H3/t4-,5+/m0/s1 |
| InChIKey | XLLFCRVCQZYVJV-CRCLSJGQSA-N |
| Mol Weight | 110.11 g/mol |
| Molecular Formula | C6H6O2 |
| Exact Mass | 110.036779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CtMiEzCI4ak |
|---|---|
| Name | (3S,4S)-(-)-3-Methyl-4-ethynyloxetan-2-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6O2 |
| InChI | InChI=1S/C6H6O2/c1-3-5-4(2)6(7)8-5/h1,4-5H,2H3/t4-,5+/m0/s1 |
| InChIKey | XLLFCRVCQZYVJV-CRCLSJGQSA-N |
| Molecular Weight | 110.112 g/mol |
| SMILES | C1(O[C@@]([C@@]1(C)[H])(C#C)[H])=O |
| SPLASH | splash10-014i-9000000000-75569911e160896cdeb3 |
| Source of Spectrum | U1-2010-690-11 |
| Wiley ID | 1663346 |