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(3R,4S)-4-(dibenzylamino)-6-methyl-heptan-3-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3R,4S)-4-(dibenzylamino)-6-methyl-heptan-3-ol
SpectraBase Compound ID 3WqLpX5O2F4
InChI InChI=1S/C22H31NO/c1-4-22(24)21(15-18(2)3)23(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,18,21-22,24H,4,15-17H2,1-3H3/t21-,22+/m0/s1
InChIKey SWHDEAWAFSGFPL-FCHUYYIVSA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5sjHdFTFCwH
Name (3R,4S)-4-(Dibenzylamino)-6-methyl-heptan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.240564621 u
Formula C22H31NO
InChI InChI=1S/C22H31NO/c1-4-22(24)21(15-18(2)3)23(16-19-11-7-5-8-12-19)17-20-13-9-6-10-14-20/h5-14,18,21-22,24H,4,15-17H2,1-3H3/t21-,22+/m0/s1
InChIKey SWHDEAWAFSGFPL-FCHUYYIVSA-N
Molecular Weight 325.496 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)(CC(C)C)([C@](O)(CC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849809