| SpectraBase Compound ID | 1Bqn2fFQF86 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h8-10,12,17H,4-7H2,1-3H3/t8-,9-,10+,12+,13-,14-,15-/m0/s1 |
| InChIKey | HJHQWOOXJACSNY-MWDAQCBISA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrzM7C4y7XQ |
|---|---|
| Name | ISO-COPRINOLONE;(ISOMER-3) |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-8-9-4-5-14(9,3)15-10(11(8)16)6-13(2,7-18-15)12(15)17/h8-10,12,17H,4-7H2,1-3H3/t8-,9-,10+,12+,13-,14-,15-/m0/s1 |
| InChIKey | HJHQWOOXJACSNY-MWDAQCBISA-N |
| Literature Reference Author | A.N.STARRATT,E.W.B.WARD,J.B.STOTHERS |
| Literature Reference Citation | CAN.J.CHEM.,67,417(1989) |
| Literature Reference DOI | 10.1139/v89-065 |
| Molecular Weight | 250.338 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWED5040 |