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1,2,3,4,5-Pentaphenylheptatriene

View entire compound with spectra: 1 MS (GC)

1,2,3,4,5-Pentaphenylheptatriene
SpectraBase Compound ID BlKHBzEWbyi
InChI InChI=1S/C37H30/c1-2-34(30-20-10-4-11-21-30)36(32-24-14-6-15-25-32)37(33-26-16-7-17-27-33)35(31-22-12-5-13-23-31)28-29-18-8-3-9-19-29/h2-28H,1H3/b34-2+,35-28+,37-36+
InChIKey YUZYMAQFZNUVHR-QFUIJEKNSA-N
Mol Weight 474.6 g/mol
Molecular Formula C37H30
Exact Mass 474.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FoD6RPPfta
Name 1,2,3,4,5-Pentaphenylheptatriene
CAS Registry Number 70456-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H30
InChI InChI=1S/C37H30/c1-2-34(30-20-10-4-11-21-30)36(32-24-14-6-15-25-32)37(33-26-16-7-17-27-33)35(31-22-12-5-13-23-31)28-29-18-8-3-9-19-29/h2-28H,1H3/b34-2+,35-28+,37-36+
InChIKey YUZYMAQFZNUVHR-QFUIJEKNSA-N
Molecular Weight 474.647 g/mol
SMILES c1(\C(\C(=C\(\C(=C\c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)=C\C)ccccc1
SPLASH splash10-004i-9000000000-78c8b2a643250bd706e7
Source of Spectrum J-44-2486-0
Wiley ID 1394064