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4-Phenylvaleric acid
SpectraBase Compound ID 33aSsQlBSGd
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PtfSJkL70N
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