| SpectraBase Spectrum ID |
42z6L4BIA4 |
| Name |
1,3,5-Trinitroheptane OR 4-Methyl-1,3,5-trinitrohexane |
| Alternate Name(s) |
1,3,5-Trinitroheptane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H13N3O6 |
| InChI |
InChI=1S/C7H13N3O6/c1-2-6(9(13)14)5-7(10(15)16)3-4-8(11)12/h6-7H,2-5H2,1H3 |
| InChIKey |
QPADRHGGXLGOLZ-UHFFFAOYSA-N |
| Molecular Weight |
235.196 g/mol |
| SMILES |
C(CC(CC(CC)N(=O)=O)N(=O)=O)N(=O)=O |
| SPLASH |
splash10-0c03-9520000000-267a38b46f61809f8e8c |
| Source of Spectrum |
ES-30-2368-3 |
| Wiley ID |
813439 |
