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benzo[e]acephenanthrylene-1-carbaldehyde
SpectraBase Compound ID JNVOKq8UUBO
InChI InChI=1S/C21H12O/c22-12-14-9-10-18-16-7-3-4-8-17(16)19-11-13-5-1-2-6-15(13)20(14)21(18)19/h1-12H
InChIKey FZRBHMYNUKWKST-UHFFFAOYSA-N
Mol Weight 280.33 g/mol
Molecular Formula C21H12O
Exact Mass 280.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImXjIjcdbIb
Name benzo[e]acephenanthrylene-1-carbaldehyde
CAS Registry Number 113600-18-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12O
InChI InChI=1S/C21H12O/c22-12-14-9-10-18-16-7-3-4-8-17(16)19-11-13-5-1-2-6-15(13)20(14)21(18)19/h1-12H
InChIKey FZRBHMYNUKWKST-UHFFFAOYSA-N
Molecular Weight 280.326 g/mol
SMILES c12c3-c4ccccc4-c2ccc(c1c1c(cccc1)c3)C=O
SPLASH splash10-0f89-0090000000-8121b3b4bc071075df91
Source of Spectrum J-53-1777-11
Wiley ID 1284539