| SpectraBase Spectrum ID |
A9GPRkW0pxd |
| Name |
(4-Acetylphenyl)(4-methoxyphenyl)ethyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.099379689 u |
| Formula |
C17H14O2 |
| InChI |
InChI=1S/C17H14O2/c1-13(18)16-9-5-14(6-10-16)3-4-15-7-11-17(19-2)12-8-15/h5-12H,1-2H3 |
| InChIKey |
XSZQDTJVPJSERT-UHFFFAOYSA-N |
| Molecular Weight |
250.297 g/mol |
| SMILES |
C(#CC1=CC=C(C=C1)OC)C=1C=CC(C(=O)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904274 |
