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2-Methoxybenzyl 4-Cyanobenzoate
SpectraBase Compound ID I0inAPrFFtR
InChI InChI=1S/C16H13NO3/c1-19-15-5-3-2-4-14(15)11-20-16(18)13-8-6-12(10-17)7-9-13/h2-9H,11H2,1H3
InChIKey ISIIYLDXWXPXOG-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 9vbUeuUlWX9
Name 2-Methoxybenzyl 4-Cyanobenzoate
Alternate Name(s) 4-Cyanobenzoic acid (2-methoxyphenyl)methyl ester (2-methoxyphenyl)methyl 4-cyanobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c1-19-15-5-3-2-4-14(15)11-20-16(18)13-8-6-12(10-17)7-9-13/h2-9H,11H2,1H3
InChIKey ISIIYLDXWXPXOG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3012573
Molecular Weight 267.284 g/mol
SMILES c1(C(OCc2ccccc2OC)=O)ccc(cc1)C#N
SPLASH splash10-001c-2900000000-ed9ef648e817d1d18030
Source of Spectrum J-77-8348-3gb
Wiley ID 1745247