| SpectraBase Spectrum ID |
8OQZ2cFqvZI |
| Name |
Benzoic acid, 2,4,6-trimethyl-, 1,2-bis(2,4,6-trimethylphenyl)-1,2-ethenediyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.323959893 u |
| Formula |
C40H44O4 |
| InChI |
InChI=1S/C40H44O4/c1-21-13-25(5)33(26(6)14-21)37(43-39(41)35-29(9)17-23(3)18-30(35)10)38(34-27(7)15-22(2)16-28(34)8)44-40(42)36-31(11)19-24(4)20-32(36)12/h13-20H,1-12H3/b38-37+ |
| InChIKey |
XTIDYPHMRQCDOK-HEFFKOSUSA-N |
| Molecular Weight |
588.788 g/mol |
| SMILES |
C1(=C(C(=CC(=C1)C)C)C(O\C(=C/(OC(C1=C(C=C(C=C1C)C)C)=O)C1=C(C=C(C=C1C)C)C)C1=C(C=C(C=C1C)C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.935935 |
