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5-(4-bromophenyl)-5-oxo-pentanitrile
SpectraBase Compound ID 1xUHiJxIAIo
InChI InChI=1S/C11H10BrNO/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7H,1-3H2
InChIKey YHGHWUIHGFVXGS-UHFFFAOYSA-N
Mol Weight 252.11 g/mol
Molecular Formula C11H10BrNO
Exact Mass 250.994577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZSqPcMXdEL
Name 5-(4-bromophenyl)-5-oxo-pentanitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrNO
InChI InChI=1S/C11H10BrNO/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7H,1-3H2
InChIKey YHGHWUIHGFVXGS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201204469
Molecular Weight 252.111 g/mol
SMILES c1c(C(CCCC#N)=O)ccc(c1)Br
SPLASH splash10-001i-0910000000-9f4bc52c4edec26b9a23
Source of Spectrum ACI-51-SM9-1f
Synonyms 5-(4-bromophenyl)-5-oxopentanenitrile
Wiley ID 1780621