| SpectraBase Spectrum ID |
KTE0o1wrZwf |
| Name |
1-Chloro-2-((2-(methoxymethyl)phenyl)buta-1,3-diyn-1-yl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.065492738 u |
| Formula |
C18H13ClO |
| InChI |
InChI=1S/C18H13ClO/c1-20-14-17-12-5-3-9-15(17)8-2-4-10-16-11-6-7-13-18(16)19/h3,5-7,9,11-13H,14H2,1H3 |
| InChIKey |
JAKOEKLXGVJRCU-UHFFFAOYSA-N |
| SMILES |
C=1(C(=CC=CC1)C#CC#CC=1C(=CC=CC1)COC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848555 |
