| SpectraBase Compound ID | 2FpQmVlwthG |
|---|---|
| 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+/m0/s1 |
| InChIKey | QUWGBTKBKRHRJG-WDEREUQCSA-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 | 3jyXPR6txKD |
|---|---|
| Name | (3R,6R)-3-Acetoxy-6,7-isopropylidenedioxyhept-1-yne |
| 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+/m0/s1 |
| InChIKey | QUWGBTKBKRHRJG-WDEREUQCSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C1(O[C@](CC[C@](C#C)(OC(=O)C)[H])(CO1)[H])(C)C |
| SPLASH | splash10-0006-9020000000-dd1a6ca8b118f41be9c1 |
| Source of Spectrum | KD-16-1118-20 |
| Synonyms | (1R)-1-{2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl}-2-propynyl acetate Acetic acid[(1R)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl]ester Acetic acid[(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]ester [(1R)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl]acetate [(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]acetate [(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl]ethanoate Acetic acid [(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] ester [(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] acetate [(1R)-1-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]prop-2-ynyl] acetate [(3R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-yn-3-yl] ethanoate |
| Wiley ID | 1637520 |