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3-Bromo-3-methylbutyl 4-chlorobutanoate
SpectraBase Compound ID IcOBd2z033a
InChI InChI=1S/C9H16BrClO2/c1-9(2,10)5-7-13-8(12)4-3-6-11/h3-7H2,1-2H3
InChIKey SELBBSPJNUKLQU-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 LTQjSgFeapj
Name 3-Bromo-3-methylbutyl 4-chlorobutanoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.002220453 u
Formula C9H16BrClO2
InChI InChI=1S/C9H16BrClO2/c1-9(2,10)5-7-13-8(12)4-3-6-11/h3-7H2,1-2H3
InChIKey SELBBSPJNUKLQU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Quality 179
Reported Formula C9H16ClO2Br
SMILES C(CCOC(CCCCl)=O)(Br)(C)C
SPLASH splash10-014i-9200000000-8372310d8f07b68a8a28
Source of Spectrum ACI-56-SM13-5a (DOI: 10.1002/anie.201708197)
Wiley ID 1896561