| SpectraBase Spectrum ID |
BnkCtTTToAj |
| Name |
Methyl5-(but-3-enyl)-4-hydroxy-2,6-dimethylbiphenyl-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-5-6-12-16-13(2)17(15-10-8-7-9-11-15)14(3)18(19(16)21)20(22)23-4/h5,7-11,21H,1,6,12H2,2-4H3 |
| InChIKey |
OVMSSTVDBIRUQJ-UHFFFAOYSA-N |
| Molecular Weight |
310.393 g/mol |
| SMILES |
C=1(C(=C(CCC=C)C(=C(C1C)C=1C=CC=CC1)C)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827261 |
