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trans-12c,12D-Dimethyl-12c,12D-dihydro-benzo(E)-pyrene
SpectraBase Compound ID 2RrtlA7FWAw
InChI InChI=1S/C22H18/c1-21-15-7-5-11-19(21)17-9-3-4-10-18(17)20-12-6-8-16(14-13-15)22(20,21)2/h3-14H,1-2H3
InChIKey OBPJXRUDZSZEIW-UHFFFAOYSA-N
Mol Weight 282.39 g/mol
Molecular Formula C22H18
Exact Mass 282.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CylLFJVAw0v
Name 12c,12d-dihydro-12c,12d-dimethylbenzo(E)pyrene trans-
Alternate Name(s) 12c,12d-dimethylbenzo[e]pyrene
CAS Registry Number 65649-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18
InChI InChI=1S/C22H18/c1-21-15-7-5-11-19(21)17-9-3-4-10-18(17)20-12-6-8-16(14-13-15)22(20,21)2/h3-14H,1-2H3
InChIKey OBPJXRUDZSZEIW-UHFFFAOYSA-N
Molecular Weight 282.386 g/mol
SMILES CC12C3(C)C4=C5C(=C2C=CC=C1C=CC3=CC=C4)C=CC=C5
SPLASH splash10-0uyi-0090000000-a882c24af617613a4e34
Source of Spectrum C-104-2558-0
Wiley ID 1286597