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3,4,5-tri-tert-butyl-1-[(p-tosylmethyl)imino]-2,4-cyclopentadien-2-carbonsaure-tert-butylester
SpectraBase Compound ID AvM2xnhlzxZ
InChI InChI=1S/C30H45NO4S/c1-19-14-16-20(17-15-19)36(33,34)18-31-25-21(26(32)35-30(11,12)13)22(27(2,3)4)23(28(5,6)7)24(25)29(8,9)10/h14-17H,18H2,1-13H3/b31-25-
InChIKey ADVOXHYWWFFSMI-GDWJVWIDSA-N
Mol Weight 515.8 g/mol
Molecular Formula C30H45NO4S
Exact Mass 515.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQmvfuv1E1E
Name 3,4,5-tri-tert-butyl-1-[(p-tosylmethyl)imino]-2,4-cyclopentadien-2-carbonsaure-tert-butylester
CAS Registry Number 102261-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45NO4S
InChI InChI=1S/C30H45NO4S/c1-19-14-16-20(17-15-19)36(33,34)18-31-25-21(26(32)35-30(11,12)13)22(27(2,3)4)23(28(5,6)7)24(25)29(8,9)10/h14-17H,18H2,1-13H3/b31-25-
InChIKey ADVOXHYWWFFSMI-GDWJVWIDSA-N
Molecular Weight 515.753 g/mol
SMILES C1(=C(C(C(C)(C)C)=C(\C1=N\CS(c1ccc(cc1)C)(=O)=O)C(C)(C)C)C(C)(C)C)C(OC(C)(C)C)=O
SPLASH splash10-052f-9041000000-485bddddb4c37c46da36
Source of Spectrum K-119-2169-11
Synonyms tert-Butyl (5E)-2,3,4-tritert-butyl-5-({(E)-[(4-methylphenyl)sulfonyl]methyl}imino)-1,3-cyclopentadiene-1-carboxylate
Wiley ID 1401302