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4-Bromo-5-[bis[N-pyrrolidinylethyl]amino]veratrole

View entire compound with spectra: 1 FTIR

4-Bromo-5-[bis[N-pyrrolidinylethyl]amino]veratrole
SpectraBase Compound ID 5MSSPi6CAJN
InChI InChI=1S/C20H32BrN3O2/c1-25-19-15-17(21)18(16-20(19)26-2)24(13-11-22-7-3-4-8-22)14-12-23-9-5-6-10-23/h15-16H,3-14H2,1-2H3
InChIKey LYPFVCJOHZOCFG-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C20H32BrN3O2
Exact Mass 425.16779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7KwdZl7Ck72
Name 4-Bromo-5-[bis[N-pyrrolidinylethyl]amino]veratrole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.167790280 u
Formula C20H32BrN3O2
InChI InChI=1S/C20H32BrN3O2/c1-25-19-15-17(21)18(16-20(19)26-2)24(13-11-22-7-3-4-8-22)14-12-23-9-5-6-10-23/h15-16H,3-14H2,1-2H3
InChIKey LYPFVCJOHZOCFG-UHFFFAOYSA-N
Molecular Weight 426.399 g/mol
SMILES COC=1C(OC)=CC(Br)=C(C1)N(CCN1CCCC1)CCN1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894779