| SpectraBase Compound ID | CxFKdaqw4SJ |
|---|---|
| InChI | InChI=1S/C39H48O2/c1-30(16-11-18-32(3)21-23-35-24-26-36(27-25-35)38(40)41-8)14-9-10-15-31(2)17-12-19-33(4)22-28-37-34(5)20-13-29-39(37,6)7/h9-12,14-19,21-28H,13,20,29H2,1-8H3/b10-9+,16-11+,17-12+,23-21+,28-22+,30-14+,31-15+,32-18+,33-19+ |
| InChIKey | BCSAMSCDGKMTPV-NHQATZOJSA-N |
| Mol Weight | 548.8 g/mol |
| Molecular Formula | C39H48O2 |
| Exact Mass | 548.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuburxKInCf |
|---|---|
| Name | 7'-(4-METHOXYCARBONYL-PHENYL)-7'-APO-BETA-CAROTENE |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48O2 |
| InChI | InChI=1S/C39H48O2/c1-30(16-11-18-32(3)21-23-35-24-26-36(27-25-35)38(40)41-8)14-9-10-15-31(2)17-12-19-33(4)22-28-37-34(5)20-13-29-39(37,6)7/h9-12,14-19,21-28H,13,20,29H2,1-8H3/b10-9+,16-11+,17-12+,23-21+,28-22+,30-14+,31-15+,32-18+,33-19+ |
| InChIKey | BCSAMSCDGKMTPV-NHQATZOJSA-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 | 548.809 g/mol |
| Solvent | CDCl3(0.04M) |
| Source File Reference | UWMR310 |