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2-(7-bromo-2-oxoheptyl)-3,5,6,7-tetrahydro-2H-benzofuran4-one
SpectraBase Compound ID 2rSZQtwtxe0
InChI InChI=1S/C15H21BrO3/c16-8-3-1-2-5-11(17)9-12-10-13-14(18)6-4-7-15(13)19-12/h12H,1-10H2
InChIKey DDIOLUOOXYRCME-UHFFFAOYSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H21BrO3
Exact Mass 328.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IfQNhhjqiL
Name 2-(7-bromo-2-oxoheptyl)-3,5,6,7-tetrahydro-2H-benzofuran4-one
Appearance Colorless oil
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Formula C15H21BrO3
InChI InChI=1S/C15H21BrO3/c16-8-3-1-2-5-11(17)9-12-10-13-14(18)6-4-7-15(13)19-12/h12H,1-10H2
InChIKey DDIOLUOOXYRCME-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00452
Molecular Weight 329.234 g/mol
Reported Formula C15H21(79)BrO3
SMILES C1C(C2=C(CC1)OC(C2)CC(CCCCCBr)=O)=O
SPLASH splash10-0udi-0900000000-31c58ac2a34ce80fd054
Source of Spectrum A1-23-SM37-11
Wiley ID 1865973