| SpectraBase Spectrum ID |
1ejaAePOBPn |
| Name |
3-Heptanone, 2,2,6-trimethyl-6-nitro-5-(4-nitrophenyl)- |
| Alternate Name(s) |
2,2,6-trimethyl-6-nitro-5-(4-nitrophenyl)-3-heptanone
2,2,6-Trimethyl-6-nitro-5-p-nitrophenylheptan-3-one |
| CAS Registry Number |
71269-14-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22N2O5 |
| InChI |
InChI=1S/C16H22N2O5/c1-15(2,3)14(19)10-13(16(4,5)18(22)23)11-6-8-12(9-7-11)17(20)21/h6-9,13H,10H2,1-5H3 |
| InChIKey |
LTIMQNZOWWMBBE-UHFFFAOYSA-N |
| Molecular Weight |
322.361 g/mol |
| SMILES |
C(N(=O)=O)(C(CC(C(C)(C)C)=O)c1ccc(N(=O)=O)cc1)(C)C |
| SPLASH |
splash10-0006-9110000000-a104ca19e7a50472c7a4 |
| Source of Spectrum |
B-36-541-0 |
| Wiley ID |
1321520 |
