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Benzo[b]rubicene

View entire compound with spectra: 2 MS (GC)

Benzo[b]rubicene
SpectraBase Compound ID 6iPlusGrwzS
InChI InChI=1S/C30H16/c1-2-9-18-17(8-1)16-25-29-20-11-4-3-10-19(20)21-14-7-15-24(27(21)29)28-23-13-6-5-12-22(23)26(18)30(25)28/h1-16H
InChIKey NOOAVRKJCUABPJ-UHFFFAOYSA-N
Mol Weight 376.46 g/mol
Molecular Formula C30H16
Exact Mass 376.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AliYCwLATAt
Name Benzo[b]rubicene
CAS Registry Number 196-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H16
InChI InChI=1S/C30H16/c1-2-9-18-17(8-1)16-25-29-20-11-4-3-10-19(20)21-14-7-15-24(27(21)29)28-23-13-6-5-12-22(23)26(18)30(25)28/h1-16H
InChIKey NOOAVRKJCUABPJ-UHFFFAOYSA-N
Molecular Weight 376.458 g/mol
SMILES c1ccc-2c(-c3c4c2cccc4c-2c4c(c5c(cc34)cccc5)-c3c2cccc3)c1
SPLASH splash10-004i-0209000000-3e39432ba39f5da0cf7e
Wiley ID 1502454