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7-Bromo-3-phenyl-2-heptanone
SpectraBase Compound ID 1jvIUnFX7X
InChI InChI=1S/C13H17BrO/c1-11(15)13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKey CTMOATJSXYNUII-UHFFFAOYSA-N
Mol Weight 269.18 g/mol
Molecular Formula C13H17BrO
Exact Mass 268.046278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IHtfqYVpOm
Name 7-Bromo-3-phenyl-2-heptanone
Alternate Name(s) 7-Bromo-3-phenylheptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO
InChI InChI=1S/C13H17BrO/c1-11(15)13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKey CTMOATJSXYNUII-UHFFFAOYSA-N
Literature Reference DOI 3.0.CO;2-3>10.1002/1615-4169(200206)344:3/4<370::AID-ADSC370>3.0.CO;2-3
Molecular Weight 269.182 g/mol
SMILES CC(C(CCCCBr)c1ccccc1)=O
SPLASH splash10-0006-9310000000-a54d382c7d731326619a
Source of Spectrum ASC-344-376-376_2
Wiley ID 1767238