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3-Amino-1-hexanol, mandelate (salt)

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-Amino-1-hexanol, mandelate (salt)
SpectraBase Compound ID IItlFCnFzLA
InChI InChI=1S/C8H8O3.C6H15NO/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-6(7)4-5-8/h1-5,7,9H,(H,10,11);6,8H,2-5,7H2,1H3
InChIKey YEKJSPSEZMJJBQ-UHFFFAOYSA-N
Mol Weight 269.34 g/mol
Molecular Formula C14H23NO4
Exact Mass 269.162708 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EGF6hkHcdDo
Name 3-Amino-1-hexanol, mandelate (salt)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.162708221 u
Formula C14H23NO4
InChI InChI=1S/C8H8O3.C6H15NO/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-3-6(7)4-5-8/h1-5,7,9H,(H,10,11);6,8H,2-5,7H2,1H3
InChIKey YEKJSPSEZMJJBQ-UHFFFAOYSA-N
Molecular Weight 269.341 g/mol
SMILES NC(CCO)CCC.OC(C(O)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.966279