| SpectraBase Spectrum ID |
IV71vs99fNB |
| Name |
1-Methoxy-4-(4-methoxy-2,3,5,6-tetrafluorophenyl)-1-buten-3-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.046042148 u |
| Formula |
C12H8F4O2 |
| InChI |
InChI=1S/C12H8F4O2/c1-17-6-4-3-5-7-8(13)10(15)12(18-2)11(16)9(7)14/h4,6H,1-2H3/b6-4+ |
| InChIKey |
WWQQEYUSSWXMGQ-GQCTYLIASA-N |
| Molecular Weight |
260.188 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)OC)F)C#C\C=C\OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93761 |
