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[(S)-Ahpc] (1R,2R)-chda [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane) cyclohexanediamine]
SpectraBase Compound ID ABKFNBOp4wo
InChI InChI=1S/C24H30N2O/c1-16(26-22-8-3-2-7-21(22)25)23-19-11-9-17-5-4-6-18(15-17)10-12-20(14-13-19)24(23)27/h4-6,13-15,21-22,27H,2-3,7-12,25H2,1H3/b26-16+/t21-,22-/m1/s1
InChIKey ALGAEYLRUWLKRN-KWZPGYENSA-N
Mol Weight 362.52 g/mol
Molecular Formula C24H30N2O
Exact Mass 362.235814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7a5kz5DXaRy
Name [(S)-Ahpc] (1R,2R)-chda [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane) cyclohexanediamine]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.235813593 u
Formula C24H30N2O
InChI InChI=1S/C24H30N2O/c1-16(26-22-8-3-2-7-21(22)25)23-19-11-9-17-5-4-6-18(15-17)10-12-20(14-13-19)24(23)27/h4-6,13-15,21-22,27H,2-3,7-12,25H2,1H3/b26-16+/t21-,22-/m1/s1
InChIKey ALGAEYLRUWLKRN-KWZPGYENSA-N
Molecular Weight 362.517 g/mol
SMILES C=1(\C(=N\[C@]2([C@](N)(CCCC2)[H])[H])C)C(=C2CCC=3C=CC=C(C3)CCC1C=C2)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877236