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2,7-bis(4'-Aminobutyl)-4,5,9,10-tetrahydropyrene

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

2,7-bis(4'-Aminobutyl)-4,5,9,10-tetrahydropyrene
SpectraBase Compound ID HieW2kAQjY6
InChI InChI=1S/C24H32N2/c25-11-3-1-5-17-13-19-7-9-21-15-18(6-2-4-12-26)16-22-10-8-20(14-17)23(19)24(21)22/h13-16H,1-12,25-26H2
InChIKey OJOSVGUIOBJQGE-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C24H32N2
Exact Mass 348.256549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ECH7CdwCPcc
Name 2,7-bis(4'-Aminobutyl)-4,5,9,10-tetrahydropyrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.256549038 u
Formula C24H32N2
InChI InChI=1S/C24H32N2/c25-11-3-1-5-17-13-19-7-9-21-15-18(6-2-4-12-26)16-22-10-8-20(14-17)23(19)24(21)22/h13-16H,1-12,25-26H2
InChIKey OJOSVGUIOBJQGE-UHFFFAOYSA-N
Molecular Weight 348.534 g/mol
SMILES C=12C3=C4C=C(C=C3CCC1C=C(CCCCN)C=C2CC4)CCCCN
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891074