| SpectraBase Spectrum ID |
3AiIub2yarN |
| Name |
2-(3-Oxocycloheptyl)-2-prop-2-ynylmalonic acid dimethyl ester |
| Alternate Name(s) |
Dimethyl 2-(3-oxocycloheptyl)-2-(prop-2-yn-1-yl)malonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O5 |
| InChI |
InChI=1S/C15H20O5/c1-4-9-15(13(17)19-2,14(18)20-3)11-7-5-6-8-12(16)10-11/h1,11H,5-10H2,2-3H3 |
| InChIKey |
PLBSDXAKFNAIQH-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
280.320 g/mol |
| SMILES |
C(C(C(=O)OC)(CC#C)C1CC(CCCC1)=O)(=O)OC |
| SPLASH |
splash10-052f-9620000000-783f376854eb33db7f40 |
| Source of Spectrum |
ASC-347-1587/SM16-10c |
| Wiley ID |
1767725 |
