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2C-B-fly 2pr

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

2C-B-fly 2pr
SpectraBase Compound ID 1nhffmtYsTm
InChI InChI=1S/C18H26BrNO2/c1-3-8-20(9-4-2)10-5-13-14-6-11-22-18(14)16(19)15-7-12-21-17(13)15/h3-12H2,1-2H3
InChIKey HORRSCKTFGFKMG-UHFFFAOYSA-N
Mol Weight 368.32 g/mol
Molecular Formula C18H26BrNO2
Exact Mass 367.114692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID kNb3uogV85
Name 2C-B-fly 2pr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.114692079 u
Formula C18H26BrNO2
InChI InChI=1S/C18H26BrNO2/c1-3-8-20(9-4-2)10-5-13-14-6-11-22-18(14)16(19)15-7-12-21-17(13)15/h3-12H2,1-2H3
InChIKey HORRSCKTFGFKMG-UHFFFAOYSA-N
Molecular Weight 368.315 g/mol
SMILES C1(=C2C(=C(C3=C1CCO3)Br)CCO2)CCN(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917083