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Benzeneacetonitrile, .alpha.-(benzoyloxy)-4-methoxy-
SpectraBase Compound ID EirKNvVAHXR
InChI InChI=1S/C16H13NO3/c1-19-14-9-7-12(8-10-14)15(11-17)20-16(18)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey UZTVZFUYUHGEIA-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8nBKMocQL
Name Benzeneacetonitrile, .alpha.-(benzoyloxy)-4-methoxy-
Alternate Name(s) Cyano(4-methoxyphenyl)methyl benzoate Mandelonitrile, p-methoxy-, benzoate (ester) [cyano-(4-methoxyphenyl)methyl] benzoate
CAS Registry Number 6948-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-19-14-9-7-12(8-10-14)15(11-17)20-16(18)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey UZTVZFUYUHGEIA-UHFFFAOYSA-N
Molecular Weight 267.284 g/mol
SMILES C(OC(C#N)c1ccc(cc1)OC)(=O)c1ccccc1
SPLASH splash10-052b-0920000000-70a1c333097ea9b674a3
Source of Spectrum SO-0-1189-3
Wiley ID 873955