SpectraBase Compound ID | Kbj8Uus3Xkp |
---|---|
InChI | InChI=1S/C14H22O4/c1-5-8-12(6-2)18-14(16)10-7-9-13(15)17-11(3)4/h11-12H,6-7,9-10H2,1-4H3 |
InChIKey | IWSGVRJOUPVCJO-UHFFFAOYSA-N |
Mol Weight | 254.33 g/mol |
Molecular Formula | C14H22O4 |
Exact Mass | 254.151809 g/mol |
SpectraBase Spectrum ID | HzpzCje4BNb |
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Name | Glutaric acid, hex-4-yn-3-yl isopropyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 254.151809184 u |
Formula | C14H22O4 |
InChI | InChI=1S/C14H22O4/c1-5-8-12(6-2)18-14(16)10-7-9-13(15)17-11(3)4/h11-12H,6-7,9-10H2,1-4H3 |
InChIKey | IWSGVRJOUPVCJO-UHFFFAOYSA-N |
Molecular Weight | 254.326 g/mol |
SMILES | C(CCC(OC(CC)C#CC)=O)C(OC(C)C)=O |