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3-(4-Cyanomethyl-phenoxy)-1-isopropylamino-2-propanol
SpectraBase Compound ID HRlw0nTq2ri
InChI InChI=1S/C14H20N2O2/c1-11(2)16-9-13(17)10-18-14-5-3-12(4-6-14)7-8-15/h3-6,11,13,16-17H,7,9-10H2,1-2H3
InChIKey VGJIPAKCLDHBAL-UHFFFAOYSA-N
Mol Weight 248.33 g/mol
Molecular Formula C14H20N2O2
Exact Mass 248.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uLgQHfbF7n
Name 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetonitrile
Carrier Gas Helium (1.3 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.152477890 u
Formula C14H20N2O2
GC Column BPX-5 (50 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 180oC
InChI InChI=1S/C14H20N2O2/c1-11(2)16-9-13(17)10-18-14-5-3-12(4-6-14)7-8-15/h3-6,11,13,16-17H,7,9-10H2,1-2H3
InChIKey VGJIPAKCLDHBAL-UHFFFAOYSA-N
Inlet Type split (5:1)
Instrument Name HP 6890 GC-5973
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201700252
Molecular Weight 248.326 g/mol
Quality 509
SMILES N(CC(COC=1C=CC(=CC1)CC#N)O)C(C)C
SPLASH splash10-00di-9110000000-e2156954fe1162c5ddad
Source of Spectrum SEP-40-SM5-5-1 (DOI: 10.1002/jssc.201700252)
Wiley ID 1908003