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(R)-1-(Heptan-4-ylamino)-3-phenylpropan-2-ol

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

(R)-1-(Heptan-4-ylamino)-3-phenylpropan-2-ol
SpectraBase Compound ID 67QnByMpLW5
InChI InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKey STLMPLSITMUCRN-MRXNPFEDSA-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 LvcaLie5Oe9
Name (R)-1-(Heptan-4-ylamino)-3-phenylpropan-2-ol
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/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKey STLMPLSITMUCRN-MRXNPFEDSA-N
Molecular Weight 249.398 g/mol
SMILES C(NC(CCC)CCC)[C@@](CC=1C=CC=CC1)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914554