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2-(Tert-butylsulfanyl)-3-(hexadecylsulfanyl)-1,4-naphthoquinone

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2-(Tert-butylsulfanyl)-3-(hexadecylsulfanyl)-1,4-naphthoquinone
SpectraBase Compound ID 9sjFBPuoI8g
InChI InChI=1S/C30H46O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28-26(31)24-21-18-19-22-25(24)27(32)29(28)34-30(2,3)4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey ZFOUOFMZCSRPEV-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C30H46O2S2
Exact Mass 502.293923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID z0CelaxIwx
Name 2-(Tert-butylsulfanyl)-3-(hexadecylsulfanyl)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.293923067 u
Formula C30H46O2S2
InChI InChI=1S/C30H46O2S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28-26(31)24-21-18-19-22-25(24)27(32)29(28)34-30(2,3)4/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKey ZFOUOFMZCSRPEV-UHFFFAOYSA-N
Molecular Weight 502.816 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)SCCCCCCCCCCCCCCCC)SC(C)(C)C