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2-(4-Hydroxy-3-methoxybenzyl)malononitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-(4-Hydroxy-3-methoxybenzyl)malononitrile
SpectraBase Compound ID 714t0GHS3Hh
InChI InChI=1S/C11H10N2O2/c1-15-11-5-8(2-3-10(11)14)4-9(6-12)7-13/h2-3,5,9,14H,4H2,1H3
InChIKey SICXLFPWQVDSCQ-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C11H10N2O2
Exact Mass 202.074228 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9LpPMsqRlWH
Name 2-(4-Hydroxy-3-methoxybenzyl)malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.074227568 u
Formula C11H10N2O2
InChI InChI=1S/C11H10N2O2/c1-15-11-5-8(2-3-10(11)14)4-9(6-12)7-13/h2-3,5,9,14H,4H2,1H3
InChIKey SICXLFPWQVDSCQ-UHFFFAOYSA-N
Molecular Weight 202.213 g/mol
SMILES C(C(C#N)CC=1C=C(C(=CC1)O)OC)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901969