| SpectraBase Spectrum ID |
JI73YUCaPBI |
| Name |
1,3-Dinitro-4-methoxyphenyl-heptane |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.137221747 u |
| Formula |
C14H20N2O5 |
| InChI |
InChI=1S/C14H20N2O5/c1-4-12(15(17)18)14(13(5-2)16(19)20)10-6-8-11(21-3)9-7-10/h6-9,12-14H,4-5H2,1-3H3 |
| InChIKey |
HUVQZKYXGKZHIB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.323 g/mol |
| Nominal Mass |
296 u |
| Quality |
966 |
| Retention Index |
2249 |
| SMILES |
C(C=1C=CC(=CC1)OC)(C([N+](=O)[O-])CC)C([N+](=O)[O-])CC |
| SPLASH |
splash10-03dj-3910000000-f42da1004d1182bc108b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(3,5-dinitroheptan-4-yl)-4-methoxybenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001173 |
