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1-(1-Adamantylamino)-3-phenoxy-2-propanol, acetate

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

1-(1-Adamantylamino)-3-phenoxy-2-propanol, acetate
SpectraBase Compound ID 45kI3qWdgR7
InChI InChI=1S/C21H29NO3/c1-15(23)25-20(14-24-19-5-3-2-4-6-19)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,16-18,20,22H,7-14H2,1H3
InChIKey YUEAWVRYUCEDBX-UHFFFAOYSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EOXnW5tQLwY
Name 1-(1-Adamantylamino)-3-phenoxy-2-propanol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.214743795 u
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-15(23)25-20(14-24-19-5-3-2-4-6-19)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,16-18,20,22H,7-14H2,1H3
InChIKey YUEAWVRYUCEDBX-UHFFFAOYSA-N
Molecular Weight 343.467 g/mol
SMILES C12(NCC(OC(=O)C)COC3=CC=CC=C3)CC3CC(C1)CC(C2)C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937863