| SpectraBase Compound ID | Y13n8oOG0t |
|---|---|
| InChI | InChI=1S/C40H72/c1-30(18-13-20-32(3)23-26-38-27-25-34(5)36(7)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-35(6)22-15-29-40(39,9)10/h25,27,30-33,35,39H,11-24,26,28-29H2,1-10H3 |
| InChIKey | OMCKSTUNSUKNJL-UHFFFAOYSA-N |
| Mol Weight | 553.0 g/mol |
| Molecular Formula | C40H72 |
| Exact Mass | 552.563402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OnhuoXfXSi |
|---|---|
| Name | .Zeta.,.beta.-carotane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.563402318 u |
| Formula | C40H72 |
| InChI | InChI=1S/C40H72/c1-30(18-13-20-32(3)23-26-38-27-25-34(5)36(7)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-35(6)22-15-29-40(39,9)10/h25,27,30-33,35,39H,11-24,26,28-29H2,1-10H3 |
| InChIKey | OMCKSTUNSUKNJL-UHFFFAOYSA-N |
| Molecular Weight | 553.016 g/mol |
| SMILES | C=1(C(=C(C=CC1CCC(CCCC(CCCCC(CCCC(CCC1C(CCCC1C)(C)C)C)C)C)C)C)C)C |