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(E)-5-(1'-Bromo-1'-heptenyl)-tetrahydropyran-2-one
SpectraBase Compound ID ArAwNZG9jn2
InChI InChI=1S/C12H19BrO2/c1-2-3-4-5-6-11(13)10-7-8-12(14)15-9-10/h6,10H,2-5,7-9H2,1H3/b11-6+
InChIKey RPZGBTWTHWWWSA-IZZDOVSWSA-N
Mol Weight 275.19 g/mol
Molecular Formula C12H19BrO2
Exact Mass 274.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99QA42eoepH
Name (E)-5-(1'-Bromo-1'-heptenyl)-tetrahydropyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H19BrO2
InChI InChI=1S/C12H19BrO2/c1-2-3-4-5-6-11(13)10-7-8-12(14)15-9-10/h6,10H,2-5,7-9H2,1H3/b11-6+
InChIKey RPZGBTWTHWWWSA-IZZDOVSWSA-N
Molecular Weight 275.186 g/mol
SMILES C1(OCC(\C(=C/CCCCC)Br)CC1)=O
SPLASH splash10-03di-0900000000-6eaacf1d5e0b1a237fe1
Source of Spectrum C-122-9609-E-59
Wiley ID 1700452