| SpectraBase Spectrum ID |
5yfurQAVXgW |
| Name |
3-Phenylpropylamine, N-acetyl-2-[3-[3,4,5-trimethoxyphenyl]propionyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.225702400 u |
| Formula |
C25H33NO7 |
| InChI |
InChI=1S/C25H33NO7/c1-16(27)26-11-7-8-18-14-21(29-2)22(30-3)15-19(18)20(28)10-9-17-12-23(31-4)25(33-6)24(13-17)32-5/h12-15H,7-11H2,1-6H3,(H,26,27) |
| InChIKey |
VRCFKDMDWZIXGK-UHFFFAOYSA-N |
| Molecular Weight |
459.539 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)CCCNC(C)=O)C(CCC1=CC(=C(C(=C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969681 |
![3-Phenylpropylamine, N-acetyl-2-[3-[3,4,5-trimethoxyphenyl]propionyl]-](/api/spectrum/5yfurQAVXgW/structure.png?h=300&w=458 "3-Phenylpropylamine, N-acetyl-2-[3-[3,4,5-trimethoxyphenyl]propionyl]-")
