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4-Hydroxy-2,2-dimethylchroman-6-carbonitrile
SpectraBase Compound ID 73ypfHSDxN0
InChI InChI=1S/C12H13NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5,10,14H,6H2,1-2H3
InChIKey ULYAWVILEMYVIZ-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxGquLe87LS
Name 4-Hydroxy-2,2-dimethylchromane-6-carbonitrile
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5,10,14H,6H2,1-2H3
InChIKey ULYAWVILEMYVIZ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710370
Molecular Weight 203.241 g/mol
Quality 368
SMILES OC1C2=C(C=CC(=C2)C#N)OC(C1)(C)C
SPLASH splash10-0002-0910000000-0123e1ef481135a4b30a
Source of Spectrum ACI-57-SM17-5p (DOI: 10.1002/anie.201710370)
Wiley ID 1891164