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2-Heptanone, 7-bromo-1-phenyl-

View entire compound with spectra: 1 MS (GC)

2-Heptanone, 7-bromo-1-phenyl-
SpectraBase Compound ID Bh0UhsdKafl
InChI InChI=1S/C13H17BrO/c14-10-6-2-5-9-13(15)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey NCQMDQPSUGWCPC-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 3X9YXhVWbSk
Name 2-Heptanone, 7-bromo-1-phenyl-
CAS Registry Number 108296-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO
InChI InChI=1S/C13H17BrO/c14-10-6-2-5-9-13(15)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey NCQMDQPSUGWCPC-UHFFFAOYSA-N
Molecular Weight 269.182 g/mol
SMILES C(C(CCCCCBr)=O)c1ccccc1
SPLASH splash10-00ou-9700000000-f6a522efa9b4781447fc
Source of Spectrum Y4-84-15-11
Synonyms 7-Bromanyl-1-phenyl-heptan-2-one 7-Bromo-1-phenyl-2-heptanone 7-Bromo-1-phenyl-heptan-2-one
Wiley ID 1550063