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(h5-cyclopentadienyl)dicarbonyl 1-S-neomenthylacetyliron
SpectraBase Compound ID GXrQpTS5yan
InChI InChI=1S/C12H21OS.C5H5.2CO.Fe/c1-9(2)11-4-6-12(3,14)8-10(11)5-7-13;1-2-4-5-3-1;2*1-2;/h9-11,14H,4-6,8H2,1-3H3;1-5H;;;
InChIKey CRPVMSXWBDOFLZ-UHFFFAOYSA-N
Mol Weight 390.32 g/mol
Molecular Formula C19H26FeO3S
Exact Mass 390.095202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAVgGtQLU6y
Name (h5-cyclopentadienyl)dicarbonyl 1-S-neomenthylacetyliron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26FeO3S
InChI InChI=1S/C12H21OS.C5H5.2CO.Fe/c1-9(2)11-4-6-12(3,14)8-10(11)5-7-13;1-2-4-5-3-1;2*1-2;/h9-11,14H,4-6,8H2,1-3H3;1-5H;;;
InChIKey CRPVMSXWBDOFLZ-UHFFFAOYSA-N
Molecular Weight 390.319 g/mol
SMILES SC1(CC(CC([Fe]2345([C@]6([C@@]5([C@@]4([C@@]2([C@@]36[H])[H])[H])[H])[H])(C#[O])C#[O])=O)C(CC1)C(C)C)C
SPLASH splash10-0a4i-6690000000-7432d3cea2769f98082d
Source of Spectrum O-30-160-1
Synonyms 1-[1,1-bis(hydroxymethyl)-1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl]-2-[5-methyl-2-(propan-2-yl)-5-sulfanylcyclohexyl]ethan-1-one
Wiley ID 1364677