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(2S,3R)-2-amino-3-(3-dodecylphenyl)propane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(2S,3R)-2-amino-3-(3-dodecylphenyl)propane-1,3-diol
SpectraBase Compound ID 8jbS9ek0ihN
InChI InChI=1S/C21H37NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)21(24)20(22)17-23/h12,14-16,20-21,23-24H,2-11,13,17,22H2,1H3/t20-,21+/m0/s1
InChIKey YIJCVPLAUOUDGO-LEWJYISDSA-N
Mol Weight 335.5 g/mol
Molecular Formula C21H37NO2
Exact Mass 335.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRxf9qPoGtx
Name (2S,3R)-2-amino-3-(3-dodecylphenyl)propane-1,3-diol
Alternate Name(s) (1R,2S)-2-amino-1-(3-dodecylphenyl)propane-1,3-diol (1R,2S)-2-azanyl-1-(3-dodecylphenyl)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37NO2
InChI InChI=1S/C21H37NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)21(24)20(22)17-23/h12,14-16,20-21,23-24H,2-11,13,17,22H2,1H3/t20-,21+/m0/s1
InChIKey YIJCVPLAUOUDGO-LEWJYISDSA-N
Molecular Weight 335.532 g/mol
SMILES N[C@@](CO)([C@@](c1cc(CCCCCCCCCCCC)ccc1)(O)[H])[H]
SPLASH splash10-004i-4091000000-f31d7b87d509ba586af8
Source of Spectrum F4-41-764-21
Wiley ID 1711717