SpectraBase Compound ID | LgnMCAVE3vw |
---|---|
InChI | InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3 |
InChIKey | OKFJJLRWQHMYCM-UHFFFAOYSA-N |
Mol Weight | 220.31 g/mol |
Molecular Formula | C14H20O2 |
Exact Mass | 220.14633 g/mol |
SpectraBase Spectrum ID | FDD3Wo4uL58 |
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Name | Pentanoic acid, 3-phenylpropyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.146329882 u |
Formula | C14H20O2 |
InChI | InChI=1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3 |
InChIKey | OKFJJLRWQHMYCM-UHFFFAOYSA-N |
Molecular Weight | 220.312 g/mol |
SMILES | C1(=CC=CC=C1)CCCOC(CCCC)=O |