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(2S,3'S,4'R/S)-(+)-1-[4'-(diethoxyphosphoryl)-1',3'-diisopropyl-5'-phenylpentylideneamino]-2-methoxymethylpyrrolidine
SpectraBase Compound ID JE2jRiD6LLF
InChI InChI=1S/C27H47N2O4P/c1-8-32-34(30,33-9-2)27(18-23-14-11-10-12-15-23)25(21(3)4)19-26(22(5)6)28-29-17-13-16-24(29)20-31-7/h10-12,14-15,21-22,24-25,27H,8-9,13,16-20H2,1-7H3/b28-26-/t24-,25-,27?/m0/s1
InChIKey VITSGDOPTCUGKZ-OJVGDUAGSA-N
Mol Weight 494.7 g/mol
Molecular Formula C27H47N2O4P
Exact Mass 494.327345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FN8zxM5TDEE
Name (2S,3'S,4'R/S)-(+)-1-[4'-(diethoxyphosphoryl)-1',3'-diisopropyl-5'-phenylpentylideneamino]-2-methoxymethylpyrrolidine
Alternate Name(s) Diethyl (2S,4Z)-1-benzyl-2-isopropyl-4-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-5-methylhexylphosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47N2O4P
InChI InChI=1S/C27H47N2O4P/c1-8-32-34(30,33-9-2)27(18-23-14-11-10-12-15-23)25(21(3)4)19-26(22(5)6)28-29-17-13-16-24(29)20-31-7/h10-12,14-15,21-22,24-25,27H,8-9,13,16-20H2,1-7H3/b28-26-/t24-,25-,27?/m0/s1
InChIKey VITSGDOPTCUGKZ-OJVGDUAGSA-N
Molecular Weight 494.657 g/mol
SMILES C(P(=O)(OCC)OCC)([C@@](C\C(=N\N1[C@](COC)(CCC1)[H])C(C)C)(C(C)C)[H])Cc1ccccc1
SPLASH splash10-0w9v-7950200000-674ba508ff7eba1d3b91
Source of Spectrum F-53-12973-7
Wiley ID 803765