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Dimethyl (1S,9S)-5-cyanosemicorrin-1,9-dicarboxylate

View entire compound with spectra: 2 NMR

Dimethyl (1S,9S)-5-cyanosemicorrin-1,9-dicarboxylate
SpectraBase Compound ID 3kda01So3Pt
InChI InChI=1S/C14H17N3O4/c1-20-13(18)11-5-3-9(16-11)8(7-15)10-4-6-12(17-10)14(19)21-2/h11-12,16H,3-6H2,1-2H3/b9-8+/t11-,12-/m0/s1
InChIKey HEMMGWQVSFWCAQ-OMJLJAAMSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87tSAQz6AmS
Name Dimethyl (1S,9S)-5-cyanosemicorrin-1,9-dicarboxylate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 448435
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4
InChI InChI=1S/C14H17N3O4/c1-20-13(18)11-5-3-9(16-11)8(7-15)10-4-6-12(17-10)14(19)21-2/h11-12,16H,3-6H2,1-2H3/b9-8+/t11-,12-/m0/s1
InChIKey HEMMGWQVSFWCAQ-OMJLJAAMSA-N
Molecular Weight 291.307 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014542