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2-Octadecyl-1,3-propanediol

View entire compound with spectra: 2 MS (GC)

2-Octadecyl-1,3-propanediol
SpectraBase Compound ID IOItw4Y2Vdx
InChI InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3
InChIKey HUHIKZFEXLRXRB-UHFFFAOYSA-N
Mol Weight 328.6 g/mol
Molecular Formula C21H44O2
Exact Mass 328.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZ5L8ztT88E
Name 2-Octadecyl-1,3-propanediol
Alternate Name(s) 2-Octadecylpropane-1,3-diol 2-stearylpropane-1,3-diol
CAS Registry Number 5337-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H44O2
InChI InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3
InChIKey HUHIKZFEXLRXRB-UHFFFAOYSA-N
Molecular Weight 328.581 g/mol
SMILES OCC(CO)CCCCCCCCCCCCCCCCCC
SPLASH splash10-0a5d-9100000000-12965f9f77234ca47608
Wiley ID 1481786