| SpectraBase Spectrum ID |
nxyFfrXqsn |
| Name |
Ethyl 4-hydroxy-3-(2-phenyl-1-ethenyl)cyclohepta-1,3,5-triene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.125594437 u |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c1-2-21-18(20)16-9-6-10-17(19)15(13-16)12-11-14-7-4-3-5-8-14/h3-8,10-13,19H,2,9H2,1H3/b12-11+ |
| InChIKey |
HNKJTHGRTSWYHH-VAWYXSNFSA-N |
| SMILES |
C=1(C=C(C(=O)OCC)CC=CC1O)\C=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803981 |
