| SpectraBase Compound ID | 7WQEniC35Or |
|---|---|
| InChI | InChI=1S/C25H28O8/c1-16(26)32-22(9-7-8-18-10-12-20(28-3)23(14-18)30-5)25(33-17(2)27)19-11-13-21(29-4)24(15-19)31-6/h10-15,22,25H,9H2,1-6H3 |
| InChIKey | KSSFULIZOSYVFX-UHFFFAOYSA-N |
| Mol Weight | 456.49 g/mol |
| Molecular Formula | C25H28O8 |
| Exact Mass | 456.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5jqa37Wrion |
|---|---|
| Name | 4-Pentyne-1,2-diol, 1,5-bis(3,4-dimethoxyphenyl)-, diacetate |
| CAS Registry Number | 111518-99-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O8 |
| InChI | InChI=1S/C25H28O8/c1-16(26)32-22(9-7-8-18-10-12-20(28-3)23(14-18)30-5)25(33-17(2)27)19-11-13-21(29-4)24(15-19)31-6/h10-15,22,25H,9H2,1-6H3 |
| InChIKey | KSSFULIZOSYVFX-UHFFFAOYSA-N |
| Molecular Weight | 456.491 g/mol |
| SMILES | c1(C(C(OC(=O)C)CC#Cc2cc(OC)c(cc2)OC)OC(=O)C)cc(OC)c(cc1)OC |
| SPLASH | splash10-0ap0-0309300000-b3d54383b5fcb00353ca |
| Source of Spectrum | F-43-3522-8 |
| Synonyms | 1,5-Di(3,4-dimethoxyphenyl)-4,5-diacetoxy-1-pentyne 2-(acetyloxy)-1,5-bis(3,4-dimethoxyphenyl)-4-pentynyl acetate Acetic acid[1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl]ester Acetic acid[1-[acetoxy-(3,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)but-3-ynyl]ester [1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl]acetate [1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl]ethanoate [1-[acetoxy-(3,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)but-3-ynyl]acetate Acetic acid [1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl] ester [1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl] acetate [1-[acetoxy-(3,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)but-3-ynyl] acetate [1-acetyloxy-1,5-bis(3,4-dimethoxyphenyl)pent-4-yn-2-yl] ethanoate |
| Wiley ID | 1389279 |