| SpectraBase Compound ID | NL9ZS5VFXA |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28-30H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+ |
| InChIKey | CCXCYBDVGSLXIT-OPKIJKSPSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7yrusHullTQ |
|---|---|
| Name | (-)-Hydroquinone |
| Appearance | Yellow oil |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28-30H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+ |
| InChIKey | CCXCYBDVGSLXIT-OPKIJKSPSA-N |
| Instrument Name | Micromass 70-VSE |
| Ionization Type | EI Positive ion |
| Literature Reference DOI | 10.1021/np049965c |
| Molecular Weight | 412.614 g/mol |
| Optical Rotation | [a]D25 = -17.4 (c = 0.32, CHCl3) |
| SMILES | Oc1cc(c(c(C\C=C\(CC\C=C\(CC(\C=C\(CCC=C(C)C)C)O)C)C)c1)O)C |
| SPLASH | splash10-0170-8920000000-1661414d19ada5cd63bd |
| Source of Spectrum | G4-67-1300-13 |
| Wiley ID | 1884051 |