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6,6-bis[4'(S)-4'-isobutyloxazolin-2'-yl]dibenzo[a,c]-1,3-cycloheptadiene

View entire compound with spectra: 1 MS (GC)

6,6-bis[4'(S)-4'-isobutyloxazolin-2'-yl]dibenzo[a,c]-1,3-cycloheptadiene
SpectraBase Compound ID 4JIvNm0ZNnT
InChI InChI=1S/C29H36N2O2/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 BZWGEYIMWRLMIJ-ZEQRLZLVSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H36N2O2
Exact Mass 444.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jxBdKErKOw
Name 6,6-bis[4'(S)-4'-isobutyloxazolin-2'-yl]dibenzo[a,c]-1,3-cycloheptadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36N2O2
InChI InChI=1S/C29H36N2O2/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 BZWGEYIMWRLMIJ-ZEQRLZLVSA-N
Molecular Weight 444.619 g/mol
SMILES C1(C2=N[C@@](CC(C)C)(CO2)[H])(C2=N[C@@](CC(C)C)(CO2)[H])Cc2c(cccc2)-c2c(C1)cccc2
SPLASH splash10-0006-0005900000-e1148e01d329f35f00c5
Source of Spectrum F-59-1936-5a
Synonyms (4S)-4-(2-methylpropyl)-2-[6-[(4S)-4-(2-methylpropyl)-4,5-dihydrooxazol-2-yl]-5,7-dihydrodibenzo[2,1-b:2',1'-e][7]annulen-6-yl]-4,5-dihydrooxazole (4S)-4-isobutyl-2-[6-[(4S)-4-isobutyl-4,5-dihydrooxazol-2-yl]-5,7-dihydrodibenzo[2,1-b:2',1'-e][7]annulen-6-yl]-4,5-dihydrooxazole (4S)-4-(2-methylpropyl)-2-[6-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-5,7-dihydrodibenzo[2,1-b:2',1'-e][7]annulen-6-yl]-4,5-dihydro-1,3-oxazole
Wiley ID 1677420