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Benz(A)anthracene
SpectraBase Compound ID JGpCAHlmIrR
InChI InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
InChIKey DXBHBZVCASKNBY-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C18H12
Exact Mass 228.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v9wWfgtWa
Name Benzo[a]anthracene
CAS Registry Number 56-55-3
Classification Chemical Pollutant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 228.093900386 u
Formula C18H12
InChI InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
InChIKey DXBHBZVCASKNBY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 228.294 g/mol
SMILES c1ccc2c(c1)cc1c(ccc3c1cccc3)c2
SPLASH splash10-004i-0490000000-2b0c4f0a552df17d7cf8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3701