SpectraBase Spectrum ID |
G82UpV04qMZ |
Name |
Ethyl 5-phenylcyclohex-1-ene-1-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.130679818 u |
Formula |
C15H18O2 |
InChI |
InChI=1S/C15H18O2/c1-2-17-15(16)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-8,10,13H,2,6,9,11H2,1H3 |
InChIKey |
MFPXJBWDFLWINL-UHFFFAOYSA-N |
Molecular Weight |
230.307 g/mol |
SMILES |
C1(=CCCC(C1)C=1C=CC=CC1)C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952521 |