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3-Bromo-3-methylbutyl 3-chlorobutanoate
SpectraBase Compound ID IIud59bEWPJ
InChI InChI=1S/C9H16BrClO2/c1-7(11)6-8(12)13-5-4-9(2,3)10/h7H,4-6H2,1-3H3
InChIKey OFADJESMNNPIMH-UHFFFAOYSA-N
Mol Weight 271.58 g/mol
Molecular Formula C9H16BrClO2
Exact Mass 270.00222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cmf4ceOq6M8
Name 3-Bromo-3-methylbutyl 3-chlorobutanoate
Appearance Colorless oil
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Exact Mass 270.002220453 u
Formula C9H16BrClO2
InChI InChI=1S/C9H16BrClO2/c1-7(11)6-8(12)13-5-4-9(2,3)10/h7H,4-6H2,1-3H3
InChIKey OFADJESMNNPIMH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Quality 202
Reported Formula C9H16ClO2Br
SMILES C(CCOC(CC(C)Cl)=O)(Br)(C)C
SPLASH splash10-014i-9000000000-7bc9d765b196f24046d1
Source of Spectrum ACI-56-SM13-5b (DOI: 10.1002/anie.201708197)
Wiley ID 1896562