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2C-ip N-(3-Bromobenzyl)

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

2C-ip N-(3-Bromobenzyl)
SpectraBase Compound ID J07yrTh92m7
InChI InChI=1S/C20H26BrNO2/c1-14(2)18-12-19(23-3)16(11-20(18)24-4)8-9-22-13-15-6-5-7-17(21)10-15/h5-7,10-12,14,22H,8-9,13H2,1-4H3
InChIKey LEGSDFHLMGMIOL-UHFFFAOYSA-N
Mol Weight 392.34 g/mol
Molecular Formula C20H26BrNO2
Exact Mass 391.114692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Df0tGUyqAmR
Name 2C-ip N-(3-Bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.114692079 u
Formula C20H26BrNO2
InChI InChI=1S/C20H26BrNO2/c1-14(2)18-12-19(23-3)16(11-20(18)24-4)8-9-22-13-15-6-5-7-17(21)10-15/h5-7,10-12,14,22H,8-9,13H2,1-4H3
InChIKey LEGSDFHLMGMIOL-UHFFFAOYSA-N
Molecular Weight 392.337 g/mol
SMILES C=1(C(=CC(=C(C1)OC)C(C)C)OC)CCNCC=1C=C(C=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821518