| SpectraBase Compound ID | 9vadulhcxa2 |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12) |
| InChIKey | FUWUEFKEXZQKKA-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EalemiMwSiV |
|---|---|
| Name | 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- |
| CAS Registry Number | 499-44-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12) |
| InChIKey | FUWUEFKEXZQKKA-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | OC1=CC(=CC=CC1=O)C(C)C |
| SPLASH | splash10-00di-7900000000-f941cfe8e92f0392e3bb |
| Source of Spectrum | DC-0-18-5 |
| Synonyms | .beta.-Isopropyltropolon .beta.-Thujaplicin .beta.-Thujaplicine 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl- 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one 2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one 4-Isopropyltropolone AI3-28398 BRN 2045206 EINECS 207-880-7 Hinokitiol Hinokitiol 4-isopropyltropolone Isopropyltropolone NSC 18804 Thujaplicin, .beta. Thujaplicin, beta Tropolone, 4-isopropyl- |
| Wiley ID | 1160336 |