| SpectraBase Spectrum ID |
DmyPnuxikVS |
| Name |
1-Butanone, 1-(3,4-dimethoxyphenyl)-4-hydroxy-3-(hydroxymethyl)-4-phenyl-, [S-(R*,S*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.146723803 u |
| Formula |
C19H22O5 |
| InChI |
InChI=1S/C19H22O5/c1-23-17-9-8-14(11-18(17)24-2)16(21)10-15(12-20)19(22)13-6-4-3-5-7-13/h3-9,11,15,19-20,22H,10,12H2,1-2H3 |
| InChIKey |
ORWXPBVPCSQXPK-UHFFFAOYSA-N |
| Molecular Weight |
330.380 g/mol |
| SMILES |
C(C=1C=C(OC)C(=CC1)OC)(CC(C(C1=CC=CC=C1)O)CO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936563 |
![1-Butanone, 1-(3,4-dimethoxyphenyl)-4-hydroxy-3-(hydroxymethyl)-4-phenyl-, [S-(R*,S*)]-](/api/spectrum/DmyPnuxikVS/structure.png?h=300&w=458 "1-Butanone, 1-(3,4-dimethoxyphenyl)-4-hydroxy-3-(hydroxymethyl)-4-phenyl-, [S-(R*,S*)]-")
