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3-[(E)-but-2-enoxy]-4-methoxybenzaldehyde
SpectraBase Compound ID FTnWVjxtBM2
InChI InChI=1S/C12H14O3/c1-3-4-7-15-12-8-10(9-13)5-6-11(12)14-2/h3-6,8-9H,7H2,1-2H3/b4-3+
InChIKey VHPORRGEJRJKJH-ONEGZZNKSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D2RzoLwGWY3
Name 3-[(E)-but-2-Enoxy]-4-methoxybenzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-3-4-7-15-12-8-10(9-13)5-6-11(12)14-2/h3-6,8-9H,7H2,1-2H3/b4-3+
InChIKey VHPORRGEJRJKJH-ONEGZZNKSA-N
Molecular Weight 206.241 g/mol
SMILES C1(OC)=CC=C(C=C1OC\C=C\C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981386