| SpectraBase Compound ID | 9FQxY91dBhg |
|---|---|
| InChI | InChI=1S/C40H52/c1-30(18-13-20-32(3)23-25-38-36(7)28-34(5)29-37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-26-39-35(6)22-15-27-40(39,9)10/h11-14,16-21,23-26,28-29H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | HCKPUDACITWVHD-QQGJMDNJSA-N |
| Mol Weight | 532.9 g/mol |
| Molecular Formula | C40H52 |
| Exact Mass | 532.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BISGrS3nqu5 |
|---|---|
| Name | 7'-(2,4,6-TRIMETHYLPHENYL)-7'-APO-BETA-CAROTENE |
| Compound Number | 1D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52 |
| InChI | InChI=1S/C40H52/c1-30(18-13-20-32(3)23-25-38-36(7)28-34(5)29-37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-26-39-35(6)22-15-27-40(39,9)10/h11-14,16-21,23-26,28-29H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | HCKPUDACITWVHD-QQGJMDNJSA-N |
| Literature Reference Author | E.S.HAND,K.A.BELMORE,L.D.KISPERT |
| Literature Reference Citation | MAGN.RES.CHEM.,31,516(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310519 |
| Molecular Weight | 532.853 g/mol |
| Solvent | CDCl3(0.04M) |
| Source File Reference | UWMR311 |