| SpectraBase Spectrum ID |
3FCIfEUvw2B |
| Name |
BULANE |
| CAS Registry Number |
117-26-0 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
323.047984125 u |
| Formula |
C16H15Cl2NO2 |
| InChI |
InChI=1S/C16H15Cl2NO2/c1-2-15(19(20)21)16(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,15-16H,2H2,1H3 |
| InChIKey |
SXLBEAVIHFLZQB-UHFFFAOYSA-N |
| Molecular Weight |
324.207 g/mol |
| Nominal Mass |
323 u |
| Number of Peaks |
104 |
| SMILES |
c1cc(ccc1C(c1ccc(cc1)Cl)C(CC)[N+]([O-])=O)Cl |
| SPLASH |
splash10-004i-1940000000-62daf30995281983b40d |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
1-chloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4370 |
