| SpectraBase Spectrum ID |
GBlM9ub8cib |
| Name |
Cycloheptanepentanoic acid, 1-nitro-.beta.,2-dioxo-, methyl ester |
| CAS Registry Number |
86572-29-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NO6 |
| InChI |
InChI=1S/C13H19NO6/c1-20-12(17)9-10(15)6-8-13(14(18)19)7-4-2-3-5-11(13)16/h2-9H2,1H3 |
| InChIKey |
XZFWOTXNCJWPKQ-UHFFFAOYSA-N |
| Molecular Weight |
285.296 g/mol |
| SMILES |
C1(N(=O)=O)(C(=O)CCCCC1)CCC(CC(=O)OC)=O |
| SPLASH |
splash10-0a4l-9400000000-87cd2438a568f9d13ba2 |
| Source of Spectrum |
H-66-855-0 |
| Synonyms |
Methyl 3-oxo-5-(1-nitro-2-oxocycloheptyl)pentanoate
Methyl 5-(1-nitro-2-oxocycloheptyl)-3-oxopentanoate |
| Wiley ID |
1288787 |
