| SpectraBase Compound ID | KSHdzwkmcZn |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-5-10(15-9(2)13)6-7-11-8-14-12(3,4)16-11/h1,10-11H,6-8H2,2-4H3/t10-,11-/m1/s1 |
| InChIKey | QUWGBTKBKRHRJG-GHMZBOCLSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BzOWrgHyZUe |
|---|---|
| Name | (3S,6R)-3-Acetoxy-6,7-isopropylidenedioxyhept-1-yne |
| Alternate Name(s) | (1S)-1-{2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl}-2-propynyl acetate Acetic acid[(1S)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl]ester Acetic acid[(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]ester [(1S)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl]acetate [(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]acetate [(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]ethanoate Acetic acid [(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] ester [(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] acetate [(1S)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl] acetate [(3S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-5-10(15-9(2)13)6-7-11-8-14-12(3,4)16-11/h1,10-11H,6-8H2,2-4H3/t10-,11-/m1/s1 |
| InChIKey | QUWGBTKBKRHRJG-GHMZBOCLSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C1(O[C@](CC[C@@](C#C)(OC(=O)C)[H])(CO1)[H])(C)C |
| SPLASH | splash10-01vo-9340000000-0c6646035a318d3ff62b |
| Source of Spectrum | KD-16-1119-27 |
| Wiley ID | 1637513 |