| SpectraBase Spectrum ID |
4W28RRM0dcS |
| Name |
Methyl 4-cyano-4-(m-methoxyphenyl)pimelate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.141972775 u |
| Formula |
C17H21NO5 |
| InChI |
InChI=1S/C17H21NO5/c1-21-14-6-4-5-13(11-14)17(12-18,9-7-15(19)22-2)10-8-16(20)23-3/h4-6,11H,7-10H2,1-3H3 |
| InChIKey |
WUWFISFLQSIBDZ-UHFFFAOYSA-N |
| Molecular Weight |
319.357 g/mol |
| SMILES |
COC(CCC(CCC(OC)=O)(C#N)C1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960181 |
