| SpectraBase Compound ID | 2QPBgVcHVPM |
|---|---|
| InChI | InChI=1S/C28H35NO2/c1-19-9-8-12-26-27(19,3)14-13-20(2)28(26,4)17-22-15-25(31)23(16-24(22)30)29-18-21-10-6-5-7-11-21/h5-7,9-11,15-16,20,26,29H,8,12-14,17-18H2,1-4H3/t20-,26+,27+,28+/m0/s1 |
| InChIKey | BWQCIYFHZMUGJG-XWARINQRSA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C28H35NO2 |
| Exact Mass | 417.266779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CDJNEwA0jjM |
|---|---|
| Name | 4'-benzylaminoavarone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35NO2 |
| InChI | InChI=1S/C28H35NO2/c1-19-9-8-12-26-27(19,3)14-13-20(2)28(26,4)17-22-15-25(31)23(16-24(22)30)29-18-21-10-6-5-7-11-21/h5-7,9-11,15-16,20,26,29H,8,12-14,17-18H2,1-4H3/t20-,26+,27+,28+/m0/s1 |
| InChIKey | BWQCIYFHZMUGJG-XWARINQRSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 417.593 g/mol |
| Optical Rotation | [a]D25 = -44 (c = 0.02, CHCl3) |
| Reported Formula | C28H35NO2 |
| SMILES | N(C=1C(C=C(C[C@@]2([C@](CC[C@]3([C@]2(CCC=C3C)[H])C)(C)[H])C)C(C1)=O)=O)Cc1ccccc1 |
| SPLASH | splash10-004i-0490100000-0bd7c3b4147852b17742 |
| Source of Spectrum | G4-67-1462-14 |
| Wiley ID | 1884063 |