| SpectraBase Compound ID | HP37thoQjrE |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16?,20-/m1/s1 |
| InChIKey | AYKJSPZJUSBRBO-OTOKDRCRSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IWqxHrXKa14 |
|---|---|
| Name | 7-Oxototarol |
| CAS Registry Number | 13476-32-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16?,20-/m1/s1 |
| InChIKey | AYKJSPZJUSBRBO-OTOKDRCRSA-N |
| Molecular Weight | 300.442 g/mol |
| SMILES | Oc1c(c2c([C@]3(CCCC(C3CC2=O)(C)C)C)cc1)C(C)C |
| SPLASH | splash10-0uxr-0594000000-5f54ebce38f80dc2ef6c |
| Source of Spectrum | CD-452-0-0 |
| Wiley ID | 1303307 |