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(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-3-octanamine

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

(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-3-octanamine
SpectraBase Compound ID Jk6PVGRgAlD
InChI InChI=1S/C18H31NO/c1-5-6-12-16(17(19)18(2,3)4)14-20-13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14,19H2,1-4H3/t16-,17-/m0/s1
InChIKey JGXAKLSJVKPBEV-IRXDYDNUSA-N
Mol Weight 277.45 g/mol
Molecular Formula C18H31NO
Exact Mass 277.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9b2yYQOLMwa
Name (3S,4R)-2,2-Dimethyl-4-(phenylmethoxymethyl)-3-octanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.240564621 u
Formula C18H31NO
InChI InChI=1S/C18H31NO/c1-5-6-12-16(17(19)18(2,3)4)14-20-13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14,19H2,1-4H3/t16-,17-/m0/s1
InChIKey JGXAKLSJVKPBEV-IRXDYDNUSA-N
Molecular Weight 277.452 g/mol
SMILES [C@](C(C)(C)C)([C@](COCC=1C=CC=CC1)(CCCC)[H])(N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962906