| SpectraBase Compound ID | BN76ZnTDz4E |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20-22(33-9)18-21(32)25-28(20,5)11-10-23-29(25,6)15-17-31(8)24-19-26(2,3)12-13-27(24,4)14-16-30(23,31)7/h18,20,23-25H,10-17,19H2,1-9H3/t20-,23?,24?,25?,27+,28+,29+,30+,31-/m0/s1 |
| InChIKey | XYMZNRSXQZLQTI-YGHDICAFSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TXEx4lG8Tk |
|---|---|
| Name | 3-METHOXY-FRIEDEL-2-EN-1-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20-22(33-9)18-21(32)25-28(20,5)11-10-23-29(25,6)15-17-31(8)24-19-26(2,3)12-13-27(24,4)14-16-30(23,31)7/h18,20,23-25H,10-17,19H2,1-9H3/t20-,23?,24?,25?,27+,28+,29+,30+,31-/m0/s1 |
| InChIKey | XYMZNRSXQZLQTI-YGHDICAFSA-N |
| Literature Reference Author | J.KLASS,W.F.TINTO,S.MCLEAN,W.F.REYNOLDS |
| Literature Reference Citation | J.NAT.PROD.,55,1626(1992) |
| Literature Reference DOI | 10.1021/np50089a010 |
| Molecular Weight | 454.737 g/mol |
| Solvent | CDCl3+1-DROP-DMSO-D6 |
| Source File Reference | UWCS4306 |