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bis(3,6-ditert-butyl-1-azulenyl)methanone
SpectraBase Compound ID H768HlWMnl4
InChI InChI=1S/C37H46O/c1-34(2,3)23-13-17-25-27(19-15-23)31(36(7,8)9)21-29(25)33(38)30-22-32(37(10,11)12)28-20-16-24(35(4,5)6)14-18-26(28)30/h13-22H,1-12H3
InChIKey GJKQKATWDFXNFL-UHFFFAOYSA-N
Mol Weight 506.8 g/mol
Molecular Formula C37H46O
Exact Mass 506.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SYF0DrJiQw
Name bis(3,6-ditert-butyl-1-azulenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H46O
InChI InChI=1S/C37H46O/c1-34(2,3)23-13-17-25-27(19-15-23)31(36(7,8)9)21-29(25)33(38)30-22-32(37(10,11)12)28-20-16-24(35(4,5)6)14-18-26(28)30/h13-22H,1-12H3
InChIKey GJKQKATWDFXNFL-UHFFFAOYSA-N
Molecular Weight 506.774 g/mol
SMILES c1(c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)C(c1c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)=O
SPLASH splash10-0a4l-0000890000-581a64e16476fa1beaa5
Source of Spectrum F-68-9761-13
Synonyms bis(3,6-ditert-butylazulen-1-yl)methanone
Wiley ID 1573967