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Iron, tricarbonyl[(6,7,8,9-.eta.)-3,5-dihydro-3,3-dimethyl-1-(phenylmethyl)-5,7a-etheno-7aH-indol-2(1H)-one]-
SpectraBase Compound ID 4f1jMbwYxID
InChI InChI=1S/C19H19NO.3CO.Fe/c1-18(2)16-12-14-8-10-19(16,11-9-14)20(17(18)21)13-15-6-4-3-5-7-15;3*1-2;/h3-12,14H,13H2,1-2H3;;;;/t14-,19+;;;;
InChIKey KQPBINNSGXSTEF-MQNBZQRBSA-N
Mol Weight 417.24 g/mol
Molecular Formula C22H19FeNO4
Exact Mass 417.066344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4aUrn7Grb2
Name Iron, tricarbonyl[(6,7,8,9-.eta.)-3,5-dihydro-3,3-dimethyl-1-(phenylmethyl)-5,7a-etheno-7aH-indol-2(1H)-one]-
CAS Registry Number 124720-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FeNO4
InChI InChI=1S/C19H19NO.3CO.Fe/c1-18(2)16-12-14-8-10-19(16,11-9-14)20(17(18)21)13-15-6-4-3-5-7-15;3*1-2;/h3-12,14H,13H2,1-2H3;;;;/t14-,19+;;;;
InChIKey KQPBINNSGXSTEF-MQNBZQRBSA-N
Molecular Weight 417.242 g/mol
SMILES [C@]12([Fe]34([C@]2([C@]2(C=C5[C@]1([C@@]4([C@@]32[H])[H])N(C(=O)C5(C)C)Cc1ccccc1)[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-0a59-1009000000-48f526d26adedc4a5900
Source of Spectrum H-72-652-8
Synonyms 12-benzyl-4,4,4-tris(hydroxymethyl)-10,10-dimethyl-12-aza-4-ferrahexacyclo[7.3.0.0(1,5).0(2,4).0(3,7).0(4,6)]dodec-8-en-11-one 5,7a-etheno-7ah-indol-2(1H)-one, 3,5-dihydro-3,3-dimethyl-1-(phenylmethyl)-, iron complex {2-benzyl-4,4-dimethyl-2-azatricyclo[5.2.2.0(1,5)]undeca-5,8,10-triene-3-one}tricarbonyliron
Wiley ID 1376815