| SpectraBase Spectrum ID |
DkirjhfsZKI |
| Name |
(5E)-1-[2-(4-Benzoxy-3-methoxy-phenyl)ethyl]-5-veratrylidene-2-pyrrolidone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.220223097 u |
| Formula |
C29H31NO5 |
| InChI |
InChI=1S/C29H31NO5/c1-32-25-12-10-23(19-27(25)33-2)17-24-11-14-29(31)30(24)16-15-21-9-13-26(28(18-21)34-3)35-20-22-7-5-4-6-8-22/h4-10,12-13,17-19H,11,14-16,20H2,1-3H3/b24-17+ |
| InChIKey |
IWJNGGBNHHROEK-JJIBRWJFSA-N |
| Molecular Weight |
473.569 g/mol |
| SMILES |
C=1(\C=C\2N(C(CC2)=O)CCC=2C=C(OC)C(=CC2)OCC=2C=CC=CC2)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883781 |
![(5E)-1-[2-(4-benzoxy-3-methoxy-phenyl)ethyl]-5-veratrylidene-2-pyrrolidone](/api/spectrum/DkirjhfsZKI/structure.png?h=300&w=458 "(5E)-1-[2-(4-benzoxy-3-methoxy-phenyl)ethyl]-5-veratrylidene-2-pyrrolidone")
