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Pentacarbonyl[1-[(2R,3R,4S,5S)-2-tert-Butyl-5-ethocycarbonyl-4-phenyl-3-pyrrolodinyl]-1-[(1R,2S,5R)-8-phenylmenthyloxy]methylidene]chronium

View entire compound with spectra: 1 MS (GC)

Pentacarbonyl[1-[(2R,3R,4S,5S)-2-tert-Butyl-5-ethocycarbonyl-4-phenyl-3-pyrrolodinyl]-1-[(1R,2S,5R)-8-phenylmenthyloxy]methylidene]chronium
SpectraBase Compound ID LCmfITzaKOm
InChI InChI=1S/C34H47NO3.5CO.Cr/c1-8-37-32(36)30-29(24-15-11-9-12-16-24)26(31(35-30)33(3,4)5)22-38-28-21-23(2)19-20-27(28)34(6,7)25-17-13-10-14-18-25;5*1-2;/h9-18,23,26-31,35H,8,19-21H2,1-7H3;;;;;;/t23-,26-,27-,28-,29-,30+,31-;;;;;;/m1....../s1
InChIKey JPTFJKAFPFCNOQ-FOAMVICHSA-N
Mol Weight 709.8 g/mol
Molecular Formula C39H47CrNO8
Exact Mass 709.270672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GJIsQbYsRe
Name Pentacarbonyl[1-[(2R,3R,4S,5S)-2-tert-Butyl-5-ethocycarbonyl-4-phenyl-3-pyrrolodinyl]-1-[(1R,2S,5R)-8-phenylmenthyloxy]methylidene]chronium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H47CrNO8
InChI InChI=1S/C34H47NO3.5CO.Cr/c1-8-37-32(36)30-29(24-15-11-9-12-16-24)26(31(35-30)33(3,4)5)22-38-28-21-23(2)19-20-27(28)34(6,7)25-17-13-10-14-18-25;5*1-2;/h9-18,23,26-31,35H,8,19-21H2,1-7H3;;;;;;/t23-,26-,27-,28-,29-,30+,31-;;;;;;/m1....../s1
InChIKey JPTFJKAFPFCNOQ-FOAMVICHSA-N
Molecular Weight 709.800 g/mol
SMILES N1[C@@]([C@@]([C@]([C@@]1(C(C)(C)C)[H])(C(=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])[H])(c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-014i-0910000000-438ef38797942c85c115
Source of Spectrum J-67-654-3
Wiley ID 1569016