| SpectraBase Spectrum ID |
6zxgUsmbzA2 |
| Name |
Trans-3-(N-propyloxycarbonyl)oxy-4-methoxycinnamic acid, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.141638422 u |
| Formula |
C17H22O6 |
| InChI |
InChI=1S/C17H22O6/c1-4-10-21-16(18)9-7-13-6-8-14(20-3)15(12-13)23-17(19)22-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3/b9-7+ |
| InChIKey |
WPGYXCGTYSTKCY-VQHVLOKHSA-N |
| Molecular Weight |
322.357 g/mol |
| SMILES |
C1=C(C=CC(=C1OC(OCCC)=O)OC)\C=C\C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951216 |
