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3-(4-Cyanomethyl-phenoxy)-1-isopropylamino-2-propanol

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

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 8Klhjd53rjn
Name 4-(2'-Hydroxy-3'-isopropylaminopropoxybenzyl cyanide
Alternate Name(s) 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetonitrile 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetonitrile 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanenitrile
CAS Registry Number 29277-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O2
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
Molecular Weight 248.326 g/mol
SMILES N(CC(COc1ccc(cc1)CC#N)O)C(C)C
SPLASH splash10-00di-9110000000-40afd0dd08d5b046fd99
Source of Spectrum JZ-1992-4480-0
Wiley ID 1251139