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1H-Pyrrole, 2-methyl-3-phenyl-1-(phenylmethyl)-
SpectraBase Compound ID IfleAEKN8Do
InChI InChI=1S/C18H17N/c1-15-18(17-10-6-3-7-11-17)12-13-19(15)14-16-8-4-2-5-9-16/h2-13H,14H2,1H3
InChIKey XCJZDRWDAKKEBR-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C18H17N
Exact Mass 247.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FP5UZBx1Z2V
Name 1H-Pyrrole, 2-methyl-3-phenyl-1-(phenylmethyl)-
Alternate Name(s) 1-benzyl-2-methyl-3-phenyl-1H-pyrrole 1-Benzyl-2-methyl-3-phenylpyrrole
CAS Registry Number 128405-56-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N
InChI InChI=1S/C18H17N/c1-15-18(17-10-6-3-7-11-17)12-13-19(15)14-16-8-4-2-5-9-16/h2-13H,14H2,1H3
InChIKey XCJZDRWDAKKEBR-UHFFFAOYSA-N
Molecular Weight 247.341 g/mol
SMILES c1([n](ccc1-c1ccccc1)Cc1ccccc1)C
SPLASH splash10-0007-9050000000-8535f9100c4245fcd21a
Source of Spectrum KC-1990-764-13
Wiley ID 1250311