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[4-(Adamantyl-1)phenoxy]acetic acid

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

[4-(Adamantyl-1)phenoxy]acetic acid
SpectraBase Compound ID KuRxgHXpMiV
InChI InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)/t12-,13+,14-,18-
InChIKey WIWCHWGNONICJI-WXZYKRPKSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EA9lqFJ23h9
Name [4-(Adamantyl-1)phenoxy]acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.156894565 u
Formula C18H22O3
InChI InChI=1S/C18H22O3/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,19,20)/t12-,13+,14-,18-
InChIKey WIWCHWGNONICJI-WXZYKRPKSA-N
SMILES C1=CC(=CC=C1C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])OCC(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920649