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(+)-Tricarbonyl[(1'R,4'S)-(1',2',3',4'-.eta.)-1'-[(2S,4S)-4-hydroxypiperidin-2-yl]pentadienyl}iron
SpectraBase Compound ID FIIBtUSxzkG
InChI InChI=1S/C10H17NO.3CO.Fe/c1-2-3-4-5-9-8-10(12)6-7-11-9;3*1-2;/h2-5,9-12H,6-8H2,1H3;;;;/t9-,10+;;;;/m0..../s1
InChIKey DPTWTCUEWKLSIL-VQTXXYAFSA-N
Mol Weight 307.13 g/mol
Molecular Formula C13H17FeNO4
Exact Mass 307.050694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53iLVUcpkOF
Name (+)-Tricarbonyl[(1'R,4'S)-(1',2',3',4'-.eta.)-1'-[(2S,4S)-4-hydroxypiperidin-2-yl]pentadienyl}iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17FeNO4
InChI InChI=1S/C10H17NO.3CO.Fe/c1-2-3-4-5-9-8-10(12)6-7-11-9;3*1-2;/h2-5,9-12H,6-8H2,1H3;;;;/t9-,10+;;;;/m0..../s1
InChIKey DPTWTCUEWKLSIL-VQTXXYAFSA-N
Molecular Weight 307.127 g/mol
SMILES N1CC[C@](C[C@@]1(C1[Fe]23([C@]1([C@@]3([C@]2(C)[H])[H])[H])(C#[O])(C#[O])C#[O])[H])(O)[H]
SPLASH splash10-0ab9-0098000000-14962c97fbe373fa2533
Source of Spectrum KC-0-3491-23
Wiley ID 826822