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Benzo[a]pentacene

View entire compound with spectra: 2 MS (GC)

Benzo[a]pentacene
SpectraBase Compound ID M11CpnCgmw
InChI InChI=1S/C26H16/c1-2-7-19-12-22-15-24-16-26-20(10-9-17-5-3-4-8-25(17)26)13-23(24)14-21(22)11-18(19)6-1/h1-16H
InChIKey PLKNNIMJRPBOSW-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C26H16
Exact Mass 328.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WJ8oUiIL6
Name Benzo[a]pentacene
Alternate Name(s) Isohexaphene EINECS 205-951-7
CAS Registry Number 239-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16
InChI InChI=1S/C26H16/c1-2-7-19-12-22-15-24-16-26-20(10-9-17-5-3-4-8-25(17)26)13-23(24)14-21(22)11-18(19)6-1/h1-16H
InChIKey PLKNNIMJRPBOSW-UHFFFAOYSA-N
Molecular Weight 328.414 g/mol
SMILES c1c2c(ccc1)cc1c(c2)cc2c(c1)cc1c(c2)ccc2c1cccc2
SPLASH splash10-004i-0109000000-d145e797d983e7101c73
Wiley ID 1502529