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METACHROMIN-R
SpectraBase Compound ID 5VK0aNpWGsC
InChI InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,9-12,19,22,30,33H,8,13-18H2,1-4H3/b20-12+/t22-,29-/m1/s1
InChIKey ZFZOXCIPQCNIRP-KQLCCDTRSA-N
Mol Weight 447.6 g/mol
Molecular Formula C29H37NO3
Exact Mass 447.277344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67vFvFdNOyo
Name METACHROMIN-R
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37NO3
InChI InChI=1S/C29H37NO3/c1-20(14-17-29(4)16-8-9-21(2)22(29)3)12-13-24-27(32)25(19-26(31)28(24)33)30-18-15-23-10-6-5-7-11-23/h5-7,9-12,19,22,30,33H,8,13-18H2,1-4H3/b20-12+/t22-,29-/m1/s1
InChIKey ZFZOXCIPQCNIRP-KQLCCDTRSA-N
Literature Reference Author Y.TAKAHASHI,M.YAMADA,T.KUBOTA,J.FROMONT,J.I.KOBAYASHI
Literature Reference Citation CHEM.PHARM.BULL.,55,1731(2007)
Literature Reference DOI 10.1248/cpb.55.1731
Molecular Weight 447.618 g/mol
Sample ID 56042
Solvent CDCl3