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8'-methyl-4',4'-bis(2-pyridylmethyl)spiro[1,2,3,4,5-pentathia-6.lambda.4-cobaltacyclohexane-6,3'-2-oxa-4.lambda.5-aza-3.lambda.4-cobaltabicyclo[4.4.0]deca-1(6),7,9-triene]-10'-carbaldehyde
SpectraBase Compound ID 86FwG42tda5
InChI InChI=1S/C12H12N3.C9H10O2.Co.H2S5/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;1-6-3-7(2)9(11)8(4-6)5-10;;1-3-5-4-2/h1-8H,9-10H2;3-5,11H,1-2H3;;1-2H/q-1;;+4;/p-3
InChIKey MJNZXBXAMCLVCK-UHFFFAOYSA-K
Mol Weight 566.7 g/mol
Molecular Formula C21H21CoN3O2S5
Exact Mass 565.956927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zaUlWcReVt
Name 8'-methyl-4',4'-bis(2-pyridylmethyl)spiro[1,2,3,4,5-pentathia-6.lambda.4-cobaltacyclohexane-6,3'-2-oxa-4.lambda.5-aza-3.lambda.4-cobaltabicyclo[4.4.0]deca-1(6),7,9-triene]-10'-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.956926796 u
Formula C21H21CoN3O2S5
InChI InChI=1S/C12H12N3.C9H10O2.Co.H2S5/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12;1-6-3-7(2)9(11)8(4-6)5-10;;1-3-5-4-2/h1-8H,9-10H2;3-5,11H,1-2H3;;1-2H/q-1;;+4;/p-3
InChIKey MJNZXBXAMCLVCK-UHFFFAOYSA-K
Instrument Name Thermo Fischer Trace 1300 ISQ QD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202203579
Molecular Weight 566.651 g/mol
SMILES C1(O[Co]2(N(CC3=CC=CC=N3)CC3=NC=CC=C3)SSSSS2)=C(C)C=C(C=C1C=O)C
SPLASH splash10-0pb9-0000970000-5ee0b4f19102e8414592
Source of Spectrum QE-29-SM11-Figure S9 (DOI: 10.1002/chem.202203579)
Wiley ID 1911395