| SpectraBase Spectrum ID |
5NOSdzFpPvC |
| Name |
1,4-Butanedione, 1,4-bis(2,4-dimethoxyphenyl)-2,3-bis[(4-methoxyphenyl)methyl]-, (R*,R*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
598.256668176 u |
| Formula |
C36H38O8 |
| InChI |
InChI=1S/C36H38O8/c1-39-25-11-7-23(8-12-25)19-31(35(37)29-17-15-27(41-3)21-33(29)43-5)32(20-24-9-13-26(40-2)14-10-24)36(38)30-18-16-28(42-4)22-34(30)44-6/h7-18,21-22,31-32H,19-20H2,1-6H3/t31-,32-/m1/s1 |
| InChIKey |
JZEASBRTXDJEKK-ROJLCIKYSA-N |
| Molecular Weight |
598.692 g/mol |
| SMILES |
[C@]([C@](C(C=1C(=CC(=CC1)OC)OC)=O)(CC=1C=CC(=CC1)OC)[H])(C(C=1C(=CC(=CC1)OC)OC)=O)(CC1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917254 |
![1,4-Butanedione, 1,4-bis(2,4-dimethoxyphenyl)-2,3-bis[(4-methoxyphenyl)methyl]-, (R*,R*)-(.+-.)-](/api/spectrum/5NOSdzFpPvC/structure.png?h=300&w=458 "1,4-Butanedione, 1,4-bis(2,4-dimethoxyphenyl)-2,3-bis[(4-methoxyphenyl)methyl]-, (R*,R*)-(.+-.)-")
