| SpectraBase Compound ID | B6h5VZlswbh |
|---|---|
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-26,30,36H,15-16,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | WZKNIMMWWQHMCG-WWSVUWEKSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6LhZzCdwa9u |
|---|---|
| Name | .beta.,.Epsilon.-carotene, 5,6-epoxy-5,6-dihydro-, (5S,6R,6'R)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.433116422 u |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-26,30,36H,15-16,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+ |
| InChIKey | WZKNIMMWWQHMCG-WWSVUWEKSA-N |
| Molecular Weight | 552.887 g/mol |
| SMILES | C12(OC2(CCCC1(C)C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1C(=CCCC1(C)C)C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981725 |