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2-(1'-Hydroxy-3'-phenyl-(E)-prop-2'-enyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-bis(2,2-dimethylpropyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide

View entire compound with spectra: 1 MS (GC)

2-(1'-Hydroxy-3'-phenyl-(E)-prop-2'-enyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-bis(2,2-dimethylpropyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID H4vZiKzPaNJ
InChI InChI=1S/C25H41N2O2P/c1-24(2,3)18-26-21-14-10-11-15-22(21)27(19-25(4,5)6)30(26,29)23(28)17-16-20-12-8-7-9-13-20/h7-9,12-13,16-17,21-23,28H,10-11,14-15,18-19H2,1-6H3/b17-16+/t21-,22-,23+/m1/s1
InChIKey NDTHCMGNBOFWJN-VQMSTHNPSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H41N2O2P
Exact Mass 432.290566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EsGARiHp6Z
Name 2-(1'-Hydroxy-3'-phenyl-(E)-prop-2'-enyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-bis(2,2-dimethylpropyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41N2O2P
InChI InChI=1S/C25H41N2O2P/c1-24(2,3)18-26-21-14-10-11-15-22(21)27(19-25(4,5)6)30(26,29)23(28)17-16-20-12-8-7-9-13-20/h7-9,12-13,16-17,21-23,28H,10-11,14-15,18-19H2,1-6H3/b17-16+/t21-,22-,23+/m1/s1
InChIKey NDTHCMGNBOFWJN-VQMSTHNPSA-N
Molecular Weight 432.589 g/mol
SMILES O[C@@](P1(N([C@@]2(CCCC[C@]2(N1CC(C)(C)C)[H])[H])CC(C)(C)C)=O)(\C=C\c1ccccc1)[H]
SPLASH splash10-0udu-0095000000-eac0874198242d5d6c17
Source of Spectrum J-60-937-3
Synonyms (1'S,3aR,7aR)-2-(1'-Hydroxy-3'-phenyl-(E)-prop-2'-enyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-bis(2,2-dimethylpropyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide (2E)-1-(1,3-dineopentyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)-3-phenyl-2-propen-1-ol (E,1S)-1-[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenyl-2-propen-1-ol (E,1S)-1-[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol (E,1S)-1-[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenyl-prop-2-en-1-ol (E,1S)-1-[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxidanylidene-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenyl-prop-2-en-1-ol
Wiley ID 1382375