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2,2-Dimethyl-4-oxochroman-6-carbonitrile
SpectraBase Compound ID 1214pPb2NUW
InChI InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5H,6H2,1-2H3
InChIKey RGYKRQIZIXTZDV-UHFFFAOYSA-N
Mol Weight 201.22 g/mol
Molecular Formula C12H11NO2
Exact Mass 201.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YrigyylMAS
Name 2,2-Dimethyl-4-oxochroman-6-carbonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO2
InChI InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5H,6H2,1-2H3
InChIKey RGYKRQIZIXTZDV-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890 N-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202103222
Molecular Weight 201.225 g/mol
SMILES CC1(Oc2c(C(C1)=O)cc(cc2)C#N)C
SPLASH splash10-000j-0900000000-627ccbaa0b13c915c408
Source of Spectrum ACI-60-SM26-2k
Wiley ID 1882505