| SpectraBase Spectrum ID |
AIM5o4Je0j7 |
| Name |
1,6-Dimethyl-4-isopropyl-7-methoxynaphthalene, compound with 1,3,5-trinitrobenzene (1:1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.153600086 u |
| Formula |
C22H23N3O7 |
| InChI |
InChI=1S/C16H20O.C6H3N3O6/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h6-10H,1-5H3;1-3H |
| InChIKey |
NQKVRIZQYOLGQG-UHFFFAOYSA-N |
| Molecular Weight |
441.440 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O.COC=1C=C2C(=CC=C(C2=CC1C)C(C)C)C |
