| SpectraBase Spectrum ID |
2tPJIKQdD3O |
| Name |
p-Nitrotoluene |
| Source of Sample |
Sigma-Aldrich Cat. #31568 |
| CAS Registry Number |
99-99-0 |
| Classification |
Pesticides |
| 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 |
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 |
| Molecular Weight |
137.138 g/mol |
| Number of Peaks |
46 |
| RI1 |
1215 |
| SMILES |
c1(N(=O)=O)ccc(C)cc1 |
| SPLASH |
splash10-00ko-9300000000-061c664aa9d7259dcadd |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzene, 1-methyl-4-nitro- |
| Wiley ID |
LM_PEST_754 |
