| SpectraBase Spectrum ID |
965MpRbzqhh |
| Name |
Methyl 5-hexyl-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 |
340.203844759 u |
| Formula |
C22H28O3 |
| InChI |
InChI=1S/C22H28O3/c1-5-6-7-11-14-18-15(2)19(17-12-9-8-10-13-17)16(3)20(21(18)23)22(24)25-4/h8-10,12-13,23H,5-7,11,14H2,1-4H3 |
| InChIKey |
XKEKQPKRYQTKFH-UHFFFAOYSA-N |
| Molecular Weight |
340.463 g/mol |
| SMILES |
C=1(C(=C(CCCCCC)C(=C(C1C)C1=CC=CC=C1)C)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876246 |
