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1H-Pyrrol-3-ol, 1,2,5-triphenyl-, benzoate (ester)
SpectraBase Compound ID BiIRwmuREQm
InChI InChI=1S/C29H21NO2/c31-29(24-17-9-3-10-18-24)32-27-21-26(22-13-5-1-6-14-22)30(25-19-11-4-12-20-25)28(27)23-15-7-2-8-16-23/h1-21H
InChIKey OPUGCEBLGVQUNP-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C29H21NO2
Exact Mass 415.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27CYcdOYKAF
Name 1H-Pyrrol-3-ol, 1,2,5-triphenyl-, benzoate (ester)
Alternate Name(s) 1,2,5-triphenyl-1H-pyrrol-3-yl benzoate 3-Benzoyloxy-1,2,5-triphenylpyrrole
CAS Registry Number 59997-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21NO2
InChI InChI=1S/C29H21NO2/c31-29(24-17-9-3-10-18-24)32-27-21-26(22-13-5-1-6-14-22)30(25-19-11-4-12-20-25)28(27)23-15-7-2-8-16-23/h1-21H
InChIKey OPUGCEBLGVQUNP-UHFFFAOYSA-N
Molecular Weight 415.492 g/mol
SMILES c1([n](c(c(c1)OC(=O)c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-014i-0042900000-e6e1b3aa23de18480ccb
Source of Spectrum KC-1976-799-0
Wiley ID 1376112