| SpectraBase Spectrum ID |
2SZk3XEhSQD |
| Name |
Methyl 5-(2-cyanoethyl)-3-hydroxy-4-methoxy-1,1'-biphenyl-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.115758027 u |
| Formula |
C18H17NO4 |
| InChI |
InChI=1S/C18H17NO4/c1-22-17-13(9-6-10-19)11-14(12-7-4-3-5-8-12)15(16(17)20)18(21)23-2/h3-5,7-8,11,20H,6,9H2,1-2H3 |
| InChIKey |
WOWQVAHOLNUBGW-UHFFFAOYSA-N |
| Molecular Weight |
311.337 g/mol |
| SMILES |
C1(=CC(=C(C(O)=C1C(=O)OC)OC)CCC#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851316 |
