| SpectraBase Compound ID | EW8Aef4Fs52 |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15?,19-,20+,21-/m0/s1 |
| InChIKey | NXIFNLNXFPAWTO-WMKHZRKJSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9QSKCuGeMmO |
|---|---|
| Name | Arenarone |
| Alternate Name(s) | 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-1,4-benzoquinone 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-p-benzoquinone 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione |
| CAS Registry Number | 87764-16-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15?,19-,20+,21-/m0/s1 |
| InChIKey | NXIFNLNXFPAWTO-WMKHZRKJSA-N |
| Molecular Weight | 312.453 g/mol |
| SMILES | [C@@]1([C@@]2([C@](C(=C)CCC2)(C)CCC1C)[H])(CC1=CC(=O)C=CC1=O)C |
| SPLASH | splash10-000e-5900000000-a7f87395b4c53a6d013c |
| Source of Spectrum | J-49-243-0 |
| Wiley ID | 1313885 |