| SpectraBase Spectrum ID |
Don8sgerMZM |
| Name |
1,3-Dinitro-2-(3-methylphenyl)propane |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
224.079706870 u |
| Formula |
C10H12N2O4 |
| InChI |
InChI=1S/C10H12N2O4/c1-8-3-2-4-9(5-8)10(6-11(13)14)7-12(15)16/h2-5,10H,6-7H2,1H3 |
| InChIKey |
FFUCFYRJVYXMDO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.216 g/mol |
| Nominal Mass |
224 u |
| Quality |
993 |
| Retention Index |
1739 |
| SMILES |
C=1(C(C[N+](=O)[O-])C[N+](=O)[O-])C=C(C=CC1)C |
| SPLASH |
splash10-014i-4900000000-f43446d7d610bda36137 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-dinitropropan-2-yl)-3-methylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001177 |
