| SpectraBase Spectrum ID |
DBuwbraxq2W |
| Name |
1,3,5-Trinitroheptane OR 4-Methyl-1,3,5-trinitrohexane |
| 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(N(=O)=O)(CC(N(=O)=O)CC)CCN(=O)=O |
| SPLASH |
splash10-0a4i-9440000000-5524b87a280070722f08 |
| Source of Spectrum |
BW-2001-0-151 |
| Synonyms |
1,3,5-Trinitroheptane |
| Wiley ID |
811258 |
