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.alpha.-[4-(Adamantyl-1)phenyl]propionic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

.alpha.-[4-(Adamantyl-1)phenyl]propionic acid
SpectraBase Compound ID 2TL9YPtSx0b
InChI InChI=1S/C19H24O2/c1-12(18(20)21)16-2-4-17(5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12?,13-,14+,15-,19-
InChIKey ZHVZLIOWARWDFO-MDSZHPLHSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GAPbvv8BC8o
Name .alpha.-[4-(Adamantyl-1)phenyl]propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.177630011 u
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-12(18(20)21)16-2-4-17(5-3-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12?,13-,14+,15-,19-
InChIKey ZHVZLIOWARWDFO-MDSZHPLHSA-N
SMILES C1=C(C=CC(=C1)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C(C)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942723