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1-Benzyl-6-bromomethyl-3-methoxy-2(1H)-pyrazinone

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

1-Benzyl-6-bromomethyl-3-methoxy-2(1H)-pyrazinone
SpectraBase Compound ID Bviibn7d7iT
InChI InChI=1S/C13H13BrN2O2/c1-18-12-13(17)16(11(7-14)8-15-12)9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKey JCAIAMZRVLLMMZ-UHFFFAOYSA-N
Mol Weight 309.16 g/mol
Molecular Formula C13H13BrN2O2
Exact Mass 308.016041 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Hqdi4siAV8
Name 1-Benzyl-6-bromomethyl-3-methoxy-2(1H)-pyrazinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.016040665 u
Formula C13H13BrN2O2
InChI InChI=1S/C13H13BrN2O2/c1-18-12-13(17)16(11(7-14)8-15-12)9-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3
InChIKey JCAIAMZRVLLMMZ-UHFFFAOYSA-N
Molecular Weight 309.163 g/mol
SMILES C1(N(C(=CN=C1OC)CBr)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941162