| SpectraBase Spectrum ID |
52TlsDpbcxT |
| Name |
Heptanal, 4-methyl-4-nitro-5-oxo- |
| CAS Registry Number |
84996-36-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H13NO4 |
| InChI |
InChI=1S/C8H13NO4/c1-3-7(11)8(2,9(12)13)5-4-6-10/h6H,3-5H2,1-2H3 |
| InChIKey |
AGCBKOQGZNDVJD-UHFFFAOYSA-N |
| Molecular Weight |
187.195 g/mol |
| SMILES |
C(N(=O)=O)(C(=O)CC)(CCC=O)C |
| SPLASH |
splash10-0a4i-9000000000-97c99c014e720140d427 |
| Source of Spectrum |
H-68-488-2 |
| Synonyms |
4-Methyl-4-nitro-5-oxoheptanal |
| Wiley ID |
1183671 |
