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3-hydroxy-3-mesitylpropanenitrile
SpectraBase Compound ID 18FOMoElU5c
InChI InChI=1S/C12H15NO/c1-8-6-9(2)12(10(3)7-8)11(14)4-5-13/h6-7,11,14H,4H2,1-3H3
InChIKey ZWXGMEMPOVGEOM-UHFFFAOYSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dc5KboLCdlq
Name 3-hydroxy-3-mesitylpropanenitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.115364106 u
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-8-6-9(2)12(10(3)7-8)11(14)4-5-13/h6-7,11,14H,4H2,1-3H3
InChIKey ZWXGMEMPOVGEOM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202218743
Molecular Weight 189.258 g/mol
Quality 132
Reported Formula C12H15NO
SMILES OC(C=1C(=CC(=CC1C)C)C)CC#N
SPLASH splash10-006t-1900000000-a31d7038a647c429ba98
Source of Spectrum ACI-62-SM24-3t (DOI: 10.1002/anie.202218743)
Wiley ID 1908284