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Benzoic acid, 2-(cyanohydroxymethyl)-, ethyl ester
SpectraBase Compound ID 6zSZbvh1lcM
InChI InChI=1S/C11H11NO3/c1-2-15-11(14)9-6-4-3-5-8(9)10(13)7-12/h3-6,10,13H,2H2,1H3
InChIKey NNVDPAPNLPPCAS-UHFFFAOYSA-N
Mol Weight 205.21 g/mol
Molecular Formula C11H11NO3
Exact Mass 205.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bHSaloVZMy
Name Benzoic acid, 2-(cyanohydroxymethyl)-, ethyl ester
Alternate Name(s) Ethyl 2-[cyano(hydroxy)methyl]benzoate 2-[cyano(hydroxy)methyl]benzoic acid ethyl ester Ethyl 2-[cyano(oxidanyl)methyl]benzoate
CAS Registry Number 54932-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO3
InChI InChI=1S/C11H11NO3/c1-2-15-11(14)9-6-4-3-5-8(9)10(13)7-12/h3-6,10,13H,2H2,1H3
InChIKey NNVDPAPNLPPCAS-UHFFFAOYSA-N
Molecular Weight 205.213 g/mol
SMILES OC(C#N)c1ccccc1C(=O)OCC
SPLASH splash10-0aor-2910000000-33ebcdb3bffebcf08349
Source of Spectrum T-68-2147-0
Wiley ID 24689