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3,7-Diazabicyclo[3.3.1]nonane, 3-(4-aminobenzoyl)-7-(phenylmethyl)-, (E)-2-butenedioate

View entire compound with spectra: 1 FTIR

3,7-Diazabicyclo[3.3.1]nonane, 3-(4-aminobenzoyl)-7-(phenylmethyl)-, (E)-2-butenedioate
SpectraBase Compound ID 20HbDyIg5TE
InChI InChI=1S/C21H25N3O.C4H4O4/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16;5-3(6)1-2-4(7)8/h1-9,17-18H,10-15,22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey YRORGUPWUDACAA-WLHGVMLRSA-N
Mol Weight 451.52 g/mol
Molecular Formula C25H29N3O5
Exact Mass 451.210721 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7qRjSNeS93l
Name 3,7-Diazabicyclo[3.3.1]nonane, 3-(4-aminobenzoyl)-7-(phenylmethyl)-, (E)-2-butenedioate
CAS Registry Number 83991-26-8
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H29N3O5
InChI InChI=1S/C21H25N3O.C4H4O4/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16;5-3(6)1-2-4(7)8/h1-9,17-18H,10-15,22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey YRORGUPWUDACAA-WLHGVMLRSA-N
Instrument Name Bruker IFS 85
Technique KBr-Pellet