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Tubocuraran, 6,6',7',12'-tetramethoxy-2,2'-dimethyl-

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Tubocuraran, 6,6',7',12'-tetramethoxy-2,2'-dimethyl-
SpectraBase Compound ID ICsqPovbxWv
InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(41-3)33(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
InChIKey BWFWPNFEEDTSFC-UHFFFAOYSA-N
Mol Weight 622.8 g/mol
Molecular Formula C38H42N2O6
Exact Mass 622.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNP2NQpnh6
Name Tubocuraran, 6,6',7',12'-tetramethoxy-2,2'-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 622.304287074 u
Formula C38H42N2O6
InChI InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(41-3)33(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3
InChIKey BWFWPNFEEDTSFC-UHFFFAOYSA-N
Molecular Weight 622.762 g/mol
SMILES C12=C(C(=CC3=C2C(N(CC3)C)CC=2C=CC(=C(OC3=CC=4C(CC5=CC=C(O1)C=C5)N(CCC4C=C3OC)C)C2)OC)OC)OC