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SCZXFZRJDVZMJI-UHFFFAOYSA-N
SpectraBase Compound ID D4qwHZLyyBe
InChI InChI=1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3
InChIKey SCZXFZRJDVZMJI-UHFFFAOYSA-N
Mol Weight 199.09 g/mol
Molecular Formula C9H11Br
Exact Mass 198.004413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vNgW0X3oEy
Name Benzene, 1-bromo-2,4,5-trimethyl-
CAS Registry Number 5469-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11Br
InChI InChI=1S/C9H11Br/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,1-3H3
InChIKey SCZXFZRJDVZMJI-UHFFFAOYSA-N
Molecular Weight 199.091 g/mol
SMILES c1(cc(C)c(cc1C)C)Br
SPLASH splash10-0gba-1940000000-eb56875ea2bbfa7cc9c5
Source of Spectrum F4-45-1502-1y
Synonyms 1-Bromo-2,4,5-trimethylbenzene 1-Bromanyl-2,4,5-trimethyl-benzene 2,4,5-Trimethylbromobenzene 5-Bromo-1,2,4-trimethylbenzene 5-Bromopseudocumene EINECS 226-793-5
Wiley ID 1737177