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(cis,trans)-3-Bromo-2-ethoxy-4-methyl-2H-pyran-6-carbonitrile
SpectraBase Compound ID JWrrldj1MMw
InChI InChI=1S/C9H12BrNO2/c1-3-12-9-8(10)6(2)4-7(5-11)13-9/h4,6,8-9H,3H2,1-2H3/t6-,8+,9-/m0/s1
InChIKey CQIZZQJLAPXBHJ-ZQARSLAVSA-N
Mol Weight 246.1 g/mol
Molecular Formula C9H12BrNO2
Exact Mass 245.005142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KePhtPWpcNM
Name (cis,trans)-3-Bromo-2-ethoxy-4-methyl-2H-pyran-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrNO2
InChI InChI=1S/C9H12BrNO2/c1-3-12-9-8(10)6(2)4-7(5-11)13-9/h4,6,8-9H,3H2,1-2H3/t6-,8+,9-/m0/s1
InChIKey CQIZZQJLAPXBHJ-ZQARSLAVSA-N
Molecular Weight 246.104 g/mol
SMILES [C@]1(OC(=C[C@@]([C@]1(Br)[H])(C)[H])C#N)(OCC)[H]
SPLASH splash10-0fk9-2900000000-e066c540143228263513
Source of Spectrum H-78-159-0
Synonyms (2S,3R,4S)-3-bromo-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carbonitrile
Wiley ID 1247750