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(2R,3S,,5R,8S,5E,7E,9Z)-Tricarbonyl-{.eta(4).-(5->8)-2-[(t-butoxycarbonyl)amino]-3-methoxydodeca-5,7,9-triene]-iron
SpectraBase Compound ID 7JF83VNmjLJ
InChI InChI=1S/C20H35NO3.3CO.Fe/c1-7-8-9-10-11-12-13-14-15-16-18(23-6)17(2)21-19(22)24-20(3,4)5;3*1-2;/h10-15,17-18H,7-9,16H2,1-6H3,(H,21,22);;;;/b11-10-;;;;/t17-,18+;;;;/m1..../s1
InChIKey LIOJXRDOBZLXBH-IJRFXMMBSA-N
Mol Weight 477.4 g/mol
Molecular Formula C23H35FeNO6
Exact Mass 477.181374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7PmczRj8Yy
Name (2R,3S,,5R,8S,5E,7E,9Z)-Tricarbonyl-{.eta(4).-(5->8)-2-[(t-butoxycarbonyl)amino]-3-methoxydodeca-5,7,9-triene]-iron
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Formula C23H35FeNO6
InChI InChI=1S/C20H35NO3.3CO.Fe/c1-7-8-9-10-11-12-13-14-15-16-18(23-6)17(2)21-19(22)24-20(3,4)5;3*1-2;/h10-15,17-18H,7-9,16H2,1-6H3,(H,21,22);;;;/b11-10-;;;;/t17-,18+;;;;/m1..../s1
InChIKey LIOJXRDOBZLXBH-IJRFXMMBSA-N
Molecular Weight 477.379 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]([C@](CC1[Fe]23(C1C3C2\C=C/CCCC)(C#[O])(C#[O])C#[O])(OC)[H])(C)[H]
SPLASH splash10-00di-0009000000-3cfafcd119e9ca3266b4
Source of Spectrum C-121-9153-22
Wiley ID 1700318