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2-[4-[2,4-bis-(1,1-dimethyl-propyl)-phenoxy]-butylimino]-3-butyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-thiazolidin-4-one
SpectraBase Compound ID 6tn58lcgM5i
InChI InChI=1S/C36H51N3O2S2/c1-9-13-23-39-32(40)31(33-38(12-4)28-18-14-15-19-30(28)42-33)43-34(39)37-22-16-17-24-41-29-21-20-26(35(5,6)10-2)25-27(29)36(7,8)11-3/h14-15,18-21,25H,9-13,16-17,22-24H2,1-8H3/b33-31-,37-34-
InChIKey SSSKNHHPMQPBDU-VXJPQWOYSA-N
Mol Weight 621.9 g/mol
Molecular Formula C36H51N3O2S2
Exact Mass 621.34227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jABm2uc0Uq
Name 2-[4-[2,4-bis-(1,1-dimethyl-propyl)-phenoxy]-butylimino]-3-butyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-thiazolidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H51N3O2S2
InChI InChI=1S/C36H51N3O2S2/c1-9-13-23-39-32(40)31(33-38(12-4)28-18-14-15-19-30(28)42-33)43-34(39)37-22-16-17-24-41-29-21-20-26(35(5,6)10-2)25-27(29)36(7,8)11-3/h14-15,18-21,25H,9-13,16-17,22-24H2,1-8H3/b33-31-,37-34-
InChIKey SSSKNHHPMQPBDU-VXJPQWOYSA-N
Molecular Weight 621.943 g/mol
SMILES C(COc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C)CC\N=C/1S\C(C(N1CCCC)=O)=C/1N(c2ccccc2S1)CC
SPLASH splash10-0a4l-3951000000-6faeabe957e1de977dda
Synonyms (2Z,5Z)-3-butyl-2-{[(Z)-4-(2,4-ditert-pentylphenoxy)butyl]imino}-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one 3-Butyl-2-{[4-(2,4-ditert-pentylphenoxy)butyl]imino}-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one
Wiley ID 1442436