| SpectraBase Spectrum ID |
FoBZgf2JRil |
| Name |
NITRALINE |
| CAS Registry Number |
4726-14-1 |
| 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 |
345.099456512 u |
| Formula |
C13H19N3O6S |
| InChI |
InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3 |
| InChIKey |
UMKANAFDOQQUKE-UHFFFAOYSA-N |
| Molecular Weight |
345.370 g/mol |
| Nominal Mass |
345 u |
| Number of Peaks |
120 |
| SMILES |
c1c(c(c(cc1S(C)(=O)=O)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O |
| SPLASH |
splash10-00xu-8296000000-f5d060ec7fdd1d87ee0b |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
4-(methylsulfonyl)-2,6-dinitro-N,N-dipropylaniline
N-[4-(methylsulfonyl)-2,6-dinitrophenyl]-N,N-dipropylamine |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4074 |
