| SpectraBase Spectrum ID |
5YmedrbFMmG |
| Name |
4-Nitrotoluene |
| CAS Registry Number |
99-99-0 |
| Classification |
Explosive precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
137.047678467 u |
| Formula |
C7H7NO2 |
| InChI |
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
| InChIKey |
ZPTVNYMJQHSSEA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
137.138 g/mol |
| Nominal Mass |
137 u |
| Quality |
935 |
| Retention Index |
1062 |
| SMILES |
C=1([N+](=O)[O-])C=CC(=CC1)C |
| SPLASH |
splash10-00ku-9300000000-46800dc149d25dec4357 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Nitrotoluol
p-NR
p-Nitrotoluene
p-Nitrotoluol
1-Methyl-4-nitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003262 |
