| SpectraBase Spectrum ID |
DCaRoTnbeCS |
| Name |
4-((3,3-dichloro-1-(4-methoxyphenyl)propyl)amino)benzonitrile |
| Appearance |
Colorless oil |
| Carrier Gas |
Nitrogen |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.063968542 u |
| Formula |
C17H16Cl2N2O |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C17H16Cl2N2O/c1-22-15-8-4-13(5-9-15)16(10-17(18)19)21-14-6-2-12(11-20)3-7-14/h2-9,16-17,21H,10H2,1H3 |
| InChIKey |
CCQWXBKOCNOZBS-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu 2014 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202203079 |
| Molecular Weight |
335.234 g/mol |
| Quality |
39 |
| Reported Formula |
C17H16Cl2N2O |
| SMILES |
N(C(CC(Cl)Cl)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)C#N |
| SPLASH |
splash10-0670-0391000000-fbffa2151d946cf30ce6 |
| Source of Spectrum |
QE-29-SM4-4k (DOI: 10.1002/chem.202203079) |
| Wiley ID |
1909403 |
