| SpectraBase Spectrum ID |
8QRC9U2Q0Rz |
| Name |
Trans-1-acetoxy-4-ethoxy-2-phenyl-2-cyclohexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-3-18-14-9-10-16(19-12(2)17)15(11-14)13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3/t14-,16-/m1/s1 |
| InChIKey |
QETPKXZARQPXHA-GDBMZVCRSA-N |
| Molecular Weight |
260.333 g/mol |
| SMILES |
C=1([C@](OC(=O)C)(CC[C@](C1)(OCC)[H])[H])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828314 |
