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2H-Quinolizine, phosphonic acid deriv.

View entire compound with spectra: 1 MS (GC)

2H-Quinolizine, phosphonic acid deriv.
SpectraBase Compound ID 7VcRBhKztPO
InChI InChI=1S/C28H37INO6P/c1-33-28-13-12-21(14-26(28)29)27-17-25(36-18-20-8-5-4-6-9-20)16-23-11-7-10-22(30(23)27)15-24(31)19-37(32,34-2)35-3/h4-6,8-9,12-14,22-23,25,27H,7,10-11,15-19H2,1-3H3/t22-,23-,25-,27+/m1/s1
InChIKey DIUJGBARIWEDLG-LADVCJOISA-N
Mol Weight 641.5 g/mol
Molecular Formula C28H37INO6P
Exact Mass 641.14032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ve6eRGWfId
Name 2H-Quinolizine, phosphonic acid deriv.
Alternate Name(s) Phosphonic acid, [3-[octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-2H-quinolizin-4-yl]-2-oxopropyl]-, dimethyl ester, (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(.+-.)- (4.alpha.,6.alpha.,8.alpha.,9a.alpha.)-(+,-)-[octahydro-6-(3-iodo-4-methoxyphenyl)-8-(phenylmethoxy)-4H-quinolizin-4-yl]-3-(dimethoxyphosphinyl)-2-propanone Dimethyl 3-[(4R,6S,8R,9aR)-8-(benzyloxy)-6-(3-iodo-4-methoxyphenyl)octahydro-2H-quinolizin-4-yl]-2-oxopropylphosphonate
CAS Registry Number 97974-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37INO6P
InChI InChI=1S/C28H37INO6P/c1-33-28-13-12-21(14-26(28)29)27-17-25(36-18-20-8-5-4-6-9-20)16-23-11-7-10-22(30(23)27)15-24(31)19-37(32,34-2)35-3/h4-6,8-9,12-14,22-23,25,27H,7,10-11,15-19H2,1-3H3/t22-,23-,25-,27+/m1/s1
InChIKey DIUJGBARIWEDLG-LADVCJOISA-N
Molecular Weight 641.483 g/mol
SMILES [C@]1(N2[C@@](C[C@](C1)(OCc1ccccc1)[H])(CCC[C@@]2(CC(CP(=O)(OC)OC)=O)[H])[H])(c1cc(I)c(cc1)OC)[H]
SPLASH splash10-0006-0090000000-d8b0a9068aaa88ac8afb
Source of Spectrum J-52-4672-45
Wiley ID 1412673