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di-[1-(Adamantyl)]-phosphinoferrocene

View entire compound with spectra: 2 NMR

di-[1-(Adamantyl)]-phosphinoferrocene
SpectraBase Compound ID 41UebXBEmOs
InChI InChI=1S/C25H31P.C5H.Fe/c1-2-4-23(3-1)26(24-11-17-5-18(12-24)7-19(6-17)13-24)25-14-20-8-21(15-25)10-22(9-20)16-25;1-2-4-5-3-1;/h3,17-22H,5-16H2;1H;/t17-,18+,19-,20-,21+,22-,24-,25-;;
InChIKey QQKLMZVYJVPKCV-RFURRZCPSA-N
Mol Weight 479.4 g/mol
Molecular Formula C30H32FeP
Exact Mass 479.159099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jaccb2vragG
Name di-[1-(Adamantyl)]-phosphinoferrocene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.159099028 u
Formula C30H32FeP
InChI InChI=1S/C25H31P.C5H.Fe/c1-2-4-23(3-1)26(24-11-17-5-18(12-24)7-19(6-17)13-24)25-14-20-8-21(15-25)10-22(9-20)16-25;1-2-4-5-3-1;/h3,17-22H,5-16H2;1H;/t17-,18+,19-,20-,21+,22-,24-,25-;;
InChIKey QQKLMZVYJVPKCV-RFURRZCPSA-N
Molecular Weight 479.405 g/mol
SMILES [C]1=2[Fe]3456789([C]2[C]5=[C]4C13)C1C6(=[C]7[C]8=[C]91)P(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]