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N-octylmorpholino 18-crown-6 ether hydrochloride
SpectraBase Compound ID 93X0yp3Vz8O
InChI InChI=1S/C22H43NO6.ClH/c1-2-3-4-5-6-7-8-23-21-17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-22(23)20-29-19-21;/h21-22H,2-20H2,1H3;1H/t21-,22-;/m1./s1
InChIKey NQSSWSAUWMHKCT-HLUKFBSCSA-N
Mol Weight 454.0 g/mol
Molecular Formula C22H44ClNO6
Exact Mass 453.285716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CekcsyRImm
Name N-octylmorpholino 18-crown-6 ether hydrochloride
Alternate Name(s) 21-octyl-3,6,9,12,15,19-hexaoxa-21-azabicyclo[15.3.1]henicosane hydrochloride
CAS Registry Number 117021-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44ClNO6
InChI InChI=1S/C22H43NO6.ClH/c1-2-3-4-5-6-7-8-23-21-17-27-15-13-25-11-9-24-10-12-26-14-16-28-18-22(23)20-29-19-21;/h21-22H,2-20H2,1H3;1H/t21-,22-;/m1./s1
InChIKey NQSSWSAUWMHKCT-HLUKFBSCSA-N
Molecular Weight 454.048 g/mol
SMILES Cl.[C@]12(N([C@@](COC2)(COCCOCCOCCOCCOC1)[H])CCCCCCCC)[H]
SPLASH splash10-014i-1109000000-429ae6b8bb806568e101
Source of Spectrum J-53-5966-2
Wiley ID 1388484