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(3R,4R)-3-(benzyloxymethyl)octan-4-amine

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

(3R,4R)-3-(benzyloxymethyl)octan-4-amine
SpectraBase Compound ID 3lU4aFn3glW
InChI InChI=1S/C16H27NO/c1-3-5-11-16(17)15(4-2)13-18-12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3/t15-,16+/m0/s1
InChIKey HDFUDWSGFRBNEI-JKSUJKDBSA-N
Mol Weight 249.4 g/mol
Molecular Formula C16H27NO
Exact Mass 249.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LcUwek8eRsv
Name (3R,4R)-3-(Benzyloxymethyl)octan-4-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.209264492 u
Formula C16H27NO
InChI InChI=1S/C16H27NO/c1-3-5-11-16(17)15(4-2)13-18-12-14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3/t15-,16+/m0/s1
InChIKey HDFUDWSGFRBNEI-JKSUJKDBSA-N
Molecular Weight 249.398 g/mol
SMILES [C@]([C@](N)(CCCC)[H])(COCC=1C=CC=CC1)(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901084