SpectraBase Compound ID | 33aSsQlBSGd |
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InChI | InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13) |
InChIKey | UIIMQLPOAXFKFW-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C11H14O2 |
Exact Mass | 178.09938 g/mol |
SpectraBase Spectrum ID | 8PtfSJkL70N |
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Name | 4-Phenylvaleric acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.099379689 u |
Formula | C11H14O2 |
InChI | InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13) |
InChIKey | UIIMQLPOAXFKFW-UHFFFAOYSA-N |
Molecular Weight | 178.231 g/mol |
SMILES | OC(CCC(C=1C=CC=CC1)C)=O |