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(6S,6'R,3S)-6-[(3'-Methyl-6'-isopropylcyclohexyl)oxy]-6,7-dihydro-5H-dinaphthalene[c,e]phosphepine
SpectraBase Compound ID ECkkfjrSrTF
InChI InChI=1S/C32H35OP/c1-21(2)27-17-12-22(3)18-30(27)33-34-19-25-15-13-23-8-4-6-10-28(23)31(25)32-26(20-34)16-14-24-9-5-7-11-29(24)32/h4-11,13-16,21-22,27,30H,12,17-20H2,1-3H3/t22-,27+,30-/m0/s1
InChIKey MBCFKQZKALGJJS-OQTGDVNSSA-N
Mol Weight 466.6 g/mol
Molecular Formula C32H35OP
Exact Mass 466.242553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ke2OBXFK5RU
Name (6S,6'R,3S)-6-[(3'-Methyl-6'-isopropylcyclohexyl)oxy]-6,7-dihydro-5H-dinaphthalene[c,e]phosphepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H35OP
InChI InChI=1S/C32H35OP/c1-21(2)27-17-12-22(3)18-30(27)33-34-19-25-15-13-23-8-4-6-10-28(23)31(25)32-26(20-34)16-14-24-9-5-7-11-29(24)32/h4-11,13-16,21-22,27,30H,12,17-20H2,1-3H3/t22-,27+,30-/m0/s1
InChIKey MBCFKQZKALGJJS-OQTGDVNSSA-N
Molecular Weight 466.605 g/mol
SMILES c12-c3c(CP(Cc2ccc2c1cccc2)O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])ccc1c3cccc1
SPLASH splash10-004i-0209200000-f723818765a68249bf39
Source of Spectrum K1-2007-114-0
Synonyms 2-{[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-2,3-dihydro-1H-dinaphtho[2,1-c:1,2-e]phosphepin 6-[(3'-Methyl-6'-isopropylcyclohexyl)oxy]-6,7-dihydro-5H-dibenzo[c,e]phosphepine
Wiley ID 1638975