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1,9-Bis(1,1-dimethylethyl)-6-(1-methylphenylmethylene)tricyclo[6.2.1.0(3,7)]undec-4,9-diene-2,11-dione
SpectraBase Compound ID 6kfN7aTN0nN
InChI InChI=1S/C27H32O2/c1-16(17-11-9-8-10-12-17)18-13-14-19-21(18)22-20(25(2,3)4)15-27(23(19)28,24(22)29)26(5,6)7/h8-15,19,21-22H,1-7H3/b18-16-/t19-,21+,22+,27+/m1/s1
InChIKey DHBCHEXAJMWXGX-OEGNDEMLSA-N
Mol Weight 388.6 g/mol
Molecular Formula C27H32O2
Exact Mass 388.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAQmroMs8WE
Name 1,9-Bis(1,1-dimethylethyl)-6-(1-methylphenylmethylene)tricyclo[6.2.1.0(3,7)]undec-4,9-diene-2,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O2
InChI InChI=1S/C27H32O2/c1-16(17-11-9-8-10-12-17)18-13-14-19-21(18)22-20(25(2,3)4)15-27(23(19)28,24(22)29)26(5,6)7/h8-15,19,21-22H,1-7H3/b18-16-/t19-,21+,22+,27+/m1/s1
InChIKey DHBCHEXAJMWXGX-OEGNDEMLSA-N
Molecular Weight 388.551 g/mol
SMILES [C@@]12(C([C@@](C(=C2)C(C)(C)C)([C@]2(\C(=C/(c3ccccc3)C)C=C[C@]2(C1=O)[H])[H])[H])=O)C(C)(C)C
SPLASH splash10-0udi-1901000000-37e47bdce40559ecdb05
Source of Spectrum F-56-3740-30
Synonyms (3R,7S)-1,9-Bis(1,1-dimethylethyl)-6-(1-methylphenylmethylene)tricyclo[6.2.1.0(3,7)]undec-4,9-diene-2,11-dione (3Z)-8,10-ditert-butyl-3-(1-phenylethylidene)tricyclo[6.2.1.0(2,6)]undeca-4,9-diene-7,11-dione
Wiley ID 857163