| SpectraBase Compound ID | JvxzLapJ5q9 |
|---|---|
| InChI | InChI=1S/C29H37NO3/c1-19-7-6-8-27-28(19,3)14-13-20(2)29(27,4)17-22-15-26(32)24(16-25(22)31)30-18-21-9-11-23(33-5)12-10-21/h7,9-12,15-16,20,27,30H,6,8,13-14,17-18H2,1-5H3/t20-,27+,28+,29+/m0/s1 |
| InChIKey | OATSXGABDBPHEU-BUAZTKSPSA-N |
| Mol Weight | 447.6 g/mol |
| Molecular Formula | C29H37NO3 |
| Exact Mass | 447.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2X0xR1sOiu |
|---|---|
| Name | 4'-p-methoxybenzylaminoavarone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO3 |
| InChI | InChI=1S/C29H37NO3/c1-19-7-6-8-27-28(19,3)14-13-20(2)29(27,4)17-22-15-26(32)24(16-25(22)31)30-18-21-9-11-23(33-5)12-10-21/h7,9-12,15-16,20,27,30H,6,8,13-14,17-18H2,1-5H3/t20-,27+,28+,29+/m0/s1 |
| InChIKey | OATSXGABDBPHEU-BUAZTKSPSA-N |
| Instrument Name | JEOL JMSD-300 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049873n |
| Molecular Weight | 447.619 g/mol |
| Optical Rotation | [a]D25 = -80.1 (c = 0.01, CHCl3) |
| Reported Formula | C29H37NO3 |
| 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)Cc1ccc(cc1)OC |
| SPLASH | splash10-0c2i-0930000000-449e92cedece34bc99db |
| Source of Spectrum | G4-67-1462-16 |
| Wiley ID | 1884065 |