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6,6-Bis[(4'S)-4'-isobutylthiazolin-2'-yl]dibenzo[a,c]cyclohepta-1,3-diene

View entire compound with spectra: 1 MS (GC)

6,6-Bis[(4'S)-4'-isobutylthiazolin-2'-yl]dibenzo[a,c]cyclohepta-1,3-diene
SpectraBase Compound ID IuxM8J3rlaT
InChI InChI=1S/C29H36N2S2/c1-19(2)13-23-17-32-27(30-23)29(28-31-24(18-33-28)14-20(3)4)15-21-9-5-7-11-25(21)26-12-8-6-10-22(26)16-29/h5-12,19-20,23-24H,13-18H2,1-4H3/t23-,24-/m0/s1
InChIKey BEBNJXSATLTTSM-ZEQRLZLVSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H36N2S2
Exact Mass 476.231992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDIMEshfeU4
Name 6,6-Bis[(4'S)-4'-isobutylthiazolin-2'-yl]dibenzo[a,c]cyclohepta-1,3-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N2S2
InChI InChI=1S/C29H36N2S2/c1-19(2)13-23-17-32-27(30-23)29(28-31-24(18-33-28)14-20(3)4)15-21-9-5-7-11-25(21)26-12-8-6-10-22(26)16-29/h5-12,19-20,23-24H,13-18H2,1-4H3/t23-,24-/m0/s1
InChIKey BEBNJXSATLTTSM-ZEQRLZLVSA-N
Molecular Weight 476.741 g/mol
SMILES C1(C2=N[C@@](CC(C)C)(CS2)[H])(C2=N[C@@](CC(C)C)(CS2)[H])Cc2c(cccc2)-c2c(C1)cccc2
SPLASH splash10-004i-0005900000-dea0ff889a69aa055792
Source of Spectrum C5-2004-224-1
Synonyms (4S)-4-isobutyl-2-{6-[(4S)-4-isobutyl-4,5-dihydro-1,3-thiazol-2-yl]-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-6-yl}-4,5-dihydro-1,3-thiazole 6,6'-Bis[(4'S)-4'-isobutylthiazolin-2'-yl]dibenzo[a,c]cyclohepta-1,3-diene
Wiley ID 1616477