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Tricarbonyl[(1-4-.eta.)-5-(2-amino-5-methoxy-4-methylphenyl)cyclohexa-1,3-diene]iron
SpectraBase Compound ID jghsEQhDf5
InChI InChI=1S/C14H17NO.3CO.Fe/c1-10-8-13(15)12(9-14(10)16-2)11-6-4-3-5-7-11;3*1-2;/h3-6,8-9,11H,7,15H2,1-2H3;;;;/t11-;;;;/m1..../s1
InChIKey KCXMZVVCZOSSAU-LOSFGHDGSA-N
Mol Weight 355.17 g/mol
Molecular Formula C17H17FeNO4
Exact Mass 355.050694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J2ii01ADxs
Name Tricarbonyl[(1-4-.eta.)-5-(2-amino-5-methoxy-4-methylphenyl)cyclohexa-1,3-diene]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17FeNO4
InChI InChI=1S/C14H17NO.3CO.Fe/c1-10-8-13(15)12(9-14(10)16-2)11-6-4-3-5-7-11;3*1-2;/h3-6,8-9,11H,7,15H2,1-2H3;;;;/t11-;;;;/m1..../s1
InChIKey KCXMZVVCZOSSAU-LOSFGHDGSA-N
Molecular Weight 355.171 g/mol
SMILES Nc1c([C@@]2(C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])[H])cc(OC)c(c1)C
SPLASH splash10-0076-0951000000-50d2e281883ecf0a06c7
Source of Spectrum SO-0-402-3
Wiley ID 1545561