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(2R,3R)-1-benzyloxy-2-methyl-heptan-3-amine

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

(2R,3R)-1-benzyloxy-2-methyl-heptan-3-amine
SpectraBase Compound ID 4dkT9okI38H
InChI InChI=1S/C15H25NO/c1-3-4-10-15(16)13(2)11-17-12-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12,16H2,1-2H3/t13-,15+/m0/s1
InChIKey DSQVFQUJZAAPQK-DZGCQCFKSA-N
Mol Weight 235.37 g/mol
Molecular Formula C15H25NO
Exact Mass 235.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1YQ5LhHGxWs
Name (2R,3R)-1-Benzyloxy-2-methyl-heptan-3-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.193614428 u
Formula C15H25NO
InChI InChI=1S/C15H25NO/c1-3-4-10-15(16)13(2)11-17-12-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12,16H2,1-2H3/t13-,15+/m0/s1
InChIKey DSQVFQUJZAAPQK-DZGCQCFKSA-N
Molecular Weight 235.371 g/mol
SMILES [C@]([C@](N)(CCCC)[H])(COCC=1C=CC=CC1)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887134