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(3R*,4S*,6S/R*)-6-Benzyloxy-4-diphenyphosphinoyl-2-methyloct-1-en-3-ol
SpectraBase Compound ID CGOue2bkSAM
InChI InChI=1S/C28H33O3P/c1-4-24(31-21-23-14-8-5-9-15-23)20-27(28(29)22(2)3)32(30,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,24,27-29H,2,4,20-21H2,1,3H3/t24-,27-,28+/m1/s1
InChIKey XJZHGQXQUKZZKW-RTVRTQBESA-N
Mol Weight 448.5 g/mol
Molecular Formula C28H33O3P
Exact Mass 448.216732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5K1fAz3H0P
Name (3R*,4S*,6S/R*)-6-Benzyloxy-4-diphenyphosphinoyl-2-methyloct-1-en-3-ol
Alternate Name(s) (3R*,4S*,6S/R*)-6-Benzyloxy-4-(diphenyl-phosphinoyl)-2-methyl-oct-1-en-3-ol (3S,4R,6R)-4-diphenylphosphoryl-2-methyl-6-phenylmethoxy-1-octen-3-ol (3S,4R,6R)-4-diphenylphosphoryl-2-methyl-6-phenylmethoxyoct-1-en-3-ol (3S,4R,6R)-6-benzyloxy-4-diphenylphosphoryl-2-methyl-oct-1-en-3-ol (3S,4R,6R)-4-diphenylphosphoryl-2-methyl-6-phenylmethoxy-oct-1-en-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33O3P
InChI InChI=1S/C28H33O3P/c1-4-24(31-21-23-14-8-5-9-15-23)20-27(28(29)22(2)3)32(30,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,24,27-29H,2,4,20-21H2,1,3H3/t24-,27-,28+/m1/s1
InChIKey XJZHGQXQUKZZKW-RTVRTQBESA-N
Molecular Weight 448.543 g/mol
SMILES O[C@]([C@](P(=O)(c1ccccc1)c1ccccc1)(C[C@](OCc1ccccc1)(CC)[H])[H])(C(=C)C)[H]
SPLASH splash10-0udi-0090000000-5b6a6561c5d8d2622454
Source of Spectrum KC-0-1976-35
Wiley ID 828517