SpectraBase Spectrum ID |
9LA1AHfYhc2 |
Name |
Heptanoic acid, 6-nitro-3-oxo-2-(1-oxopropyl)-, methyl ester |
CAS Registry Number |
80213-51-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H17NO6 |
InChI |
InChI=1S/C11H17NO6/c1-4-8(13)10(11(15)18-3)9(14)6-5-7(2)12(16)17/h7,10H,4-6H2,1-3H3 |
InChIKey |
YZNXBWHHAAQXGD-UHFFFAOYSA-N |
Molecular Weight |
259.258 g/mol |
SMILES |
C(N(=O)=O)(CCC(C(C(=O)OC)C(=O)CC)=O)C |
SPLASH |
splash10-0a4i-9000000000-853e32cd6fb22dc59315 |
Source of Spectrum |
H-64-1863-0 |
Synonyms |
Methyl 6-nitro-3-oxo-2-propionylheptanoate
Methylester of 6-nitro-3-oxo-2-propionyl-heptanoic acid |
Wiley ID |
1262515 |