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1,3,2-Dioxaphosphorinane, 3-pyridinemethanamine deriv.
SpectraBase Compound ID 7r45L30mHbw
InChI InChI=1S/C28H51N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26-28-20-23-33-35(31,34-28)30-25-27-19-18-21-29-24-27/h18-19,21,24,28H,2-17,20,22-23,25-26H2,1H3,(H,30,31)/t28-,35+/m0/s1
InChIKey ZIQXGERINNQVNK-JADSYQMUSA-N
Mol Weight 510.7 g/mol
Molecular Formula C28H51N2O4P
Exact Mass 510.358645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB9559v2MxA
Name 1,3,2-Dioxaphosphorinane, 3-pyridinemethanamine deriv.
CAS Registry Number 110989-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H51N2O4P
InChI InChI=1S/C28H51N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26-28-20-23-33-35(31,34-28)30-25-27-19-18-21-29-24-27/h18-19,21,24,28H,2-17,20,22-23,25-26H2,1H3,(H,30,31)/t28-,35+/m0/s1
InChIKey ZIQXGERINNQVNK-JADSYQMUSA-N
Molecular Weight 510.700 g/mol
SMILES N([P@@]1(O[C@](COCCCCCCCCCCCCCCCCCC)(CCO1)[H])=O)Cc1cnccc1
SPLASH splash10-0006-9070080000-365bb6aaf0967fcf3641
Source of Spectrum H-69-1868-28
Synonyms 3-Pyridinemethanamine, N-[4-[(octyloxy)methyl]-1,3,2-dioxaphosphorinan-2-yl]-, P-oxide, (2R-trans)- (2R,4S)-4-(octadecyloxymethyl)-2-[(3-pyridylmethyl)amino]-1,3,2-dioxaphosphorinane 2-oxide (4S)-4-[(octadecyloxy)methyl]-N-(3-pyridinylmethyl)-1,3,2-dioxaphosphorinan-2-amine 2-oxide N-{(4S)-4-[(octadecyloxy)methyl]-2-oxido-1,3,2-dioxaphosphorinan-2-yl}-N-(3-pyridinylmethyl)amine
Wiley ID 1400514