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Benzo[a]pyren-7(8H)-one, 3-bromo-9,10-dihydro-
SpectraBase Compound ID 22BvdWHkFvy
InChI InChI=1S/C20H13BrO/c21-17-9-6-11-4-7-14-13-2-1-3-18(22)16(13)10-12-5-8-15(17)19(11)20(12)14/h4-10H,1-3H2
InChIKey KWPQDZODAMTQSZ-UHFFFAOYSA-N
Mol Weight 349.23 g/mol
Molecular Formula C20H13BrO
Exact Mass 348.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fMmLPmh3kF
Name Benzo[a]pyren-7(8H)-one, 3-bromo-9,10-dihydro-
CAS Registry Number 119784-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13BrO
InChI InChI=1S/C20H13BrO/c21-17-9-6-11-4-7-14-13-2-1-3-18(22)16(13)10-12-5-8-15(17)19(11)20(12)14/h4-10H,1-3H2
InChIKey KWPQDZODAMTQSZ-UHFFFAOYSA-N
Molecular Weight 349.227 g/mol
SMILES c12c3c4CCCC(c4cc2ccc2c1c(cc3)ccc2Br)=O
SPLASH splash10-0f6t-0059000000-b40f74ccf013b34fb070
Source of Spectrum J-54-5276-29
Synonyms 3-Bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-one 3-Bromo-9,10-dihydrobenzo[def]chrysen-7(8H)-one
Wiley ID 1340635