| SpectraBase Spectrum ID |
JIHSuTfJoK8 |
| Name |
4'-Propoxy-[1,1'-biphenyl]-4-carbonitrile |
| CAS Registry Number |
52709-86-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
237.115364106 u |
| Formula |
C16H15NO |
| InChI |
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3 |
| InChIKey |
RZCQJZFWJZHMPK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
237.302 g/mol |
| Nominal Mass |
237 u |
| Quality |
870 |
| Retention Index |
1811 |
| SMILES |
C=1(C2=CC=C(C=C2)C#N)C=CC(=CC1)OCCC |
| SPLASH |
splash10-0002-1900000000-bbc3e6ba646820dfb882 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4'-propoxy[1,1'-biphenyl]-4-carbonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004418 |
