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1,4-Dimethyl-3-(hydroxymethylene)-6-benzyl-6-(trityltrithio)-2,5-piperazinedione

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1,4-Dimethyl-3-(hydroxymethylene)-6-benzyl-6-(trityltrithio)-2,5-piperazinedione
SpectraBase Compound ID HC1oM5VCHel
InChI InChI=1S/C33H30N2O3S3/c1-34-29(24-36)30(37)35(2)32(31(34)38,23-25-15-7-3-8-16-25)39-41-40-33(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,36H,23H2,1-2H3/b29-24+
InChIKey DFQOXTWXZUCXSD-RMLRFSFXSA-N
Mol Weight 598.8 g/mol
Molecular Formula C33H30N2O3S3
Exact Mass 598.141856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSJt8wUsImY
Name 1,4-Dimethyl-3-(hydroxymethylene)-6-benzyl-6-(trityltrithio)-2,5-piperazinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.141856353 u
Formula C33H30N2O3S3
InChI InChI=1S/C33H30N2O3S3/c1-34-29(24-36)30(37)35(2)32(31(34)38,23-25-15-7-3-8-16-25)39-41-40-33(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,36H,23H2,1-2H3/b29-24+
InChIKey DFQOXTWXZUCXSD-RMLRFSFXSA-N
Molecular Weight 598.794 g/mol
SMILES C1(N(C(=O)\C(N(C1=O)C)=C/O)C)(SSSC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)CC=1C=CC=CC1