| SpectraBase Spectrum ID |
23VQxj10Dtr |
| Name |
Ethyl trans-4-(4-methoxyphenyl)cyclohexane carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-3-19-16(17)14-6-4-12(5-7-14)13-8-10-15(18-2)11-9-13/h8-12,14H,3-7H2,1-2H3/t12-,14- |
| InChIKey |
JHJODYXDFRYMQZ-MQMHXKEQSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C1C[C@](CC[C@@]1(C(OCC)=O)[H])(C1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890893 |
