| SpectraBase Spectrum ID |
1Nzvun5TlFq |
| Name |
Methyl 4-chloro-4'-methoxy-3,5-dimethylbiphenyl-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.086622104 u |
| Formula |
C17H17ClO3 |
| InChI |
InChI=1S/C17H17ClO3/c1-10-9-14(12-5-7-13(20-3)8-6-12)15(17(19)21-4)11(2)16(10)18/h5-9H,1-4H3 |
| InChIKey |
DONNBIPGNAJHPB-UHFFFAOYSA-N |
| Molecular Weight |
304.773 g/mol |
| SMILES |
C=1(C(=C(C)C(=C(C1)C)Cl)C(=O)OC)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922624 |
