| SpectraBase Compound ID | A5LBpVMXx5y |
|---|---|
| InChI | InChI=1S/C37H45NO2/c1-29(15-10-17-31(3)20-22-34-23-25-35(26-24-34)38(39)40)13-8-9-14-30(2)16-11-18-32(4)21-27-36-33(5)19-12-28-37(36,6)7/h8-11,13-18,20-27H,12,19,28H2,1-7H3/b9-8+,15-10+,16-11+,22-20+,27-21+,29-13+,30-14+,31-17+,32-18+ |
| InChIKey | YUXBOAVYAHIPHN-OHZUGMGTSA-N |
| Mol Weight | 535.8 g/mol |
| Molecular Formula | C37H45NO2 |
| Exact Mass | 535.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtFa2tcZFtj |
|---|---|
| Name | 7'-(4-NITROPHENYL)-7'-APO-BETA-CAROTENE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H45NO2 |
| InChI | InChI=1S/C37H45NO2/c1-29(15-10-17-31(3)20-22-34-23-25-35(26-24-34)38(39)40)13-8-9-14-30(2)16-11-18-32(4)21-27-36-33(5)19-12-28-37(36,6)7/h8-11,13-18,20-27H,12,19,28H2,1-7H3/b9-8+,15-10+,16-11+,22-20+,27-21+,29-13+,30-14+,31-17+,32-18+ |
| InChIKey | YUXBOAVYAHIPHN-OHZUGMGTSA-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 | 535.770 g/mol |
| Solvent | CDCl3(0.04M) |
| Source File Reference | UWMR309 |