| SpectraBase Spectrum ID |
KNlbs3wTg2Q |
| Name |
Oxalic acid, monoamide, N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.173272904 u |
| Formula |
C18H25NO5 |
| InChI |
InChI=1S/C18H25NO5/c1-4-24-17(21)16(20)19-12-18(9-5-6-10-18)13-7-8-14(22-2)15(11-13)23-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,20) |
| InChIKey |
XZRGFDQMIDEPAX-UHFFFAOYSA-N |
| Molecular Weight |
335.400 g/mol |
| SMILES |
C(C(=O)OCC)(NCC1(C2=CC(OC)=C(C=C2)OC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934195 |
![Oxalic acid, monoamide, N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-, ethyl ester](/api/spectrum/KNlbs3wTg2Q/structure.png?h=300&w=458 "Oxalic acid, monoamide, N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-, ethyl ester")
