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4-Bromo-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl)acetonitrile
SpectraBase Compound ID EIXWZ25ej63
InChI InChI=1S/C8H6BrNO3/c9-4-3-8(12,1-2-10)7-6(13-7)5(4)11/h3,6-7,12H,1H2/t6?,7?,8-/m1/s1
InChIKey DLWQYOHITLLXEO-KAVNDROISA-N
Mol Weight 244.04 g/mol
Molecular Formula C8H6BrNO3
Exact Mass 242.953106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2z12AcmxnGP
Name 4-Bromo-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrNO3
InChI InChI=1S/C8H6BrNO3/c9-4-3-8(12,1-2-10)7-6(13-7)5(4)11/h3,6-7,12H,1H2/t6?,7?,8-/m1/s1
InChIKey DLWQYOHITLLXEO-KAVNDROISA-N
Molecular Weight 244.044 g/mol
SMILES O[C@]1(C2C(O2)C(C(=C1)Br)=O)CC#N
SPLASH splash10-0zfr-0190000000-d1fd119a0619f2a93b94
Source of Spectrum QE-7-2368-61
Wiley ID 845631