| SpectraBase Spectrum ID |
Cp8eCrFrJM6 |
| Name |
(E)-2-[2-Hydroxy-5-(3-keto-3-methoxy-propyl)phenyl]-3-(4-methoxyphenyl)acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.141638422 u |
| Formula |
C21H22O6 |
| InChI |
InChI=1S/C21H22O6/c1-25-16-8-4-14(5-9-16)13-18(21(24)27-3)17-12-15(6-10-19(17)22)7-11-20(23)26-2/h4-6,8-10,12-13,22H,7,11H2,1-3H3/b18-13+ |
| InChIKey |
OZPFQEISYSKZNW-QGOAFFKASA-N |
| Molecular Weight |
370.401 g/mol |
| SMILES |
C1(\C(C(=O)OC)=C/C2=CC=C(C=C2)OC)=C(C=CC(=C1)CCC(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914442 |
![(E)-2-[2-hydroxy-5-(3-keto-3-methoxy-propyl)phenyl]-3-(4-methoxyphenyl)acrylic acid methyl ester](/api/spectrum/Cp8eCrFrJM6/structure.png?h=300&w=458 "(E)-2-[2-hydroxy-5-(3-keto-3-methoxy-propyl)phenyl]-3-(4-methoxyphenyl)acrylic acid methyl ester")
