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Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester

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Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester
SpectraBase Compound ID BOCMhVaO1gA
InChI InChI=1S/C13H12BrNO3/c1-2-9-15-12(16)7-8-13(17)18-11-5-3-10(14)4-6-11/h2-8H,1,9H2,(H,15,16)/b8-7+
InChIKey KNHGDANWWLGUKN-BQYQJAHWSA-N
Mol Weight 310.15 g/mol
Molecular Formula C13H12BrNO3
Exact Mass 309.000056 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IXH4Ym97jk2
Name Fumaric acid, monoamide, N-allyl-, 4-bromophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.000056247 u
Formula C13H12BrNO3
InChI InChI=1S/C13H12BrNO3/c1-2-9-15-12(16)7-8-13(17)18-11-5-3-10(14)4-6-11/h2-8H,1,9H2,(H,15,16)/b8-7+
InChIKey KNHGDANWWLGUKN-BQYQJAHWSA-N
Molecular Weight 310.147 g/mol
SMILES C1=C(C=CC(=C1)Br)OC(=O)\C=C\C(NCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878396