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5-t-butylrubicene
SpectraBase Compound ID Eu0PrLX1ZJn
InChI InChI=1S/C30H22/c1-30(2,3)17-14-15-22-25(16-17)21-11-7-13-23-26-19-9-5-4-8-18(19)20-10-6-12-24(27(20)26)29(22)28(21)23/h4-16H,1-3H3
InChIKey DKKVQYXTKJGTRG-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C30H22
Exact Mass 382.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WMqtrg9lKm
Name 5-t-butylrubicene
CAS Registry Number 128710-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22
InChI InChI=1S/C30H22/c1-30(2,3)17-14-15-22-25(16-17)21-11-7-13-23-26-19-9-5-4-8-18(19)20-10-6-12-24(27(20)26)29(22)28(21)23/h4-16H,1-3H3
InChIKey DKKVQYXTKJGTRG-UHFFFAOYSA-N
Molecular Weight 382.506 g/mol
SMILES c1-2c3c(cccc3c-3c4c1cccc4-c1ccccc31)-c1c2ccc(C(C)(C)C)c1
SPLASH splash10-004i-0209000000-76bc17ce61d29ac45276
Source of Spectrum K-123-1985-0
Synonyms 5-tert-Butylrubicene
Wiley ID 1360936