SpectraBase Spectrum ID |
DlW6idocKhs |
Name |
1,3-Dinitro-3-methoxy-4,5-methylenedioxyphenyl-pentane |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
312.095750856 u |
Formula |
C13H16N2O7 |
InChI |
InChI=1S/C13H16N2O7/c1-7(14(16)17)12(8(2)15(18)19)9-4-10(20-3)13-11(5-9)21-6-22-13/h4-5,7-8,12H,6H2,1-3H3 |
InChIKey |
IDLCVJKUBQUFMU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
312.278 g/mol |
Nominal Mass |
312 u |
Quality |
983 |
Retention Index |
2395 |
SMILES |
C(C1=CC2=C(C(=C1)OC)OCO2)(C([N+](=O)[O-])C)C([N+](=O)[O-])C |
SPLASH |
splash10-00mo-6920000000-9af16e990f4d6647b976 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
6-(2,4-dinitropentan-3-yl)-4-methoxy-1,3-benzodioxole |
Technique |
GC/MS |
Wiley ID |
DD2024_001171 |