| SpectraBase Spectrum ID |
AggkcetteSG |
| Name |
2-(Phenylethynyl)-5,4'-dimethyl-1,1'-diphenyl |
| Alternate Name(s) |
3,4'-dimethyl-6-(phenylethynyl)-1,1'-biphenyl |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18 |
| InChI |
InChI=1S/C22H18/c1-17-8-12-20(13-9-17)22-16-18(2)10-14-21(22)15-11-19-6-4-3-5-7-19/h3-10,12-14,16H,1-2H3 |
| InChIKey |
KDOHRDIWGZDEJQ-UHFFFAOYSA-N |
| Molecular Weight |
282.386 g/mol |
| SMILES |
C(#Cc1ccccc1)c1c(-c2ccc(cc2)C)cc(cc1)C |
| SPLASH |
splash10-001i-0090000000-2609f6197f0be0d9d403 |
| Source of Spectrum |
F-56-861-18 |
| Wiley ID |
855781 |
