SpectraBase Spectrum ID |
JIK1aw7QsgS |
Name |
2,4,6-Trimethoxynitrobenzene |
CAS Registry Number |
14227-18-0 |
Classification |
Chemical |
Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
213.063722453 u |
Formula |
C9H11NO5 |
InChI |
InChI=1S/C9H11NO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3 |
InChIKey |
VWYAWLZEMLQGJH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
213.189 g/mol |
Nominal Mass |
213 u |
Quality |
1000 |
Retention Index |
1586 |
SMILES |
C1(=C(C=C(C=C1OC)OC)OC)N(=O)=O |
SPLASH |
splash10-03di-7930000000-d6467196aae415531a09 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1,3,5-Trimethoxy-2-nitrobenzene |
Technique |
GC/MS |
Wiley ID |
DD2024_024435 |