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2-cb-fly-Nb2Ome

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

2-cb-fly-Nb2Ome
SpectraBase Compound ID 7ZtWvlQ5F3J
InChI InChI=1S/C20H22BrNO3/c1-23-17-5-3-2-4-13(17)12-22-9-6-14-15-7-10-25-20(15)18(21)16-8-11-24-19(14)16/h2-5,22H,6-12H2,1H3
InChIKey CUFCITSPWAZWHS-UHFFFAOYSA-N
Mol Weight 404.3 g/mol
Molecular Formula C20H22BrNO3
Exact Mass 403.078307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86mNh2AZLPG
Name 2-cb-fly-Nb2Ome
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.078306569 u
Formula C20H22BrNO3
InChI InChI=1S/C20H22BrNO3/c1-23-17-5-3-2-4-13(17)12-22-9-6-14-15-7-10-25-20(15)18(21)16-8-11-24-19(14)16/h2-5,22H,6-12H2,1H3
InChIKey CUFCITSPWAZWHS-UHFFFAOYSA-N
Molecular Weight 404.304 g/mol
SMILES C1(=C2C(=C(C3=C1OCC3)Br)OCC2)CCNCC1=C(C=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821659