| SpectraBase Spectrum ID |
HMf2Gu9ozqX |
| Name |
1,4-Butanediol, 2-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, 1,4-diacetate, [R-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.209717982 u |
| Formula |
C25H32O8 |
| InChI |
InChI=1S/C25H32O8/c1-16(26)32-14-20(10-18-6-8-22(28)24(12-18)30-4)21(15-33-17(2)27)11-19-7-9-23(29-3)25(13-19)31-5/h6-9,12-13,20-21,28H,10-11,14-15H2,1-5H3/t20-,21-/m0/s1 |
| InChIKey |
OXMLPPRSPAFHFU-SFTDATJTSA-N |
| Molecular Weight |
460.523 g/mol |
| SMILES |
C=1(C(=CC=C(C1)C[C@]([C@@](CC=1C=C(OC)C(=CC1)OC)(COC(=O)C)[H])(COC(=O)C)[H])O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949098 |
![1,4-Butanediol, 2-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, 1,4-diacetate, [R-(R*,R*)]-](/api/spectrum/HMf2Gu9ozqX/structure.png?h=300&w=458 "1,4-Butanediol, 2-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, 1,4-diacetate, [R-(R*,R*)]-")
