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1-Benzylpyrrol-2-yl acetic acid
SpectraBase Compound ID AV56K8rXt13
InChI InChI=1S/C13H13NO2/c15-13(16)9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKey FEQCKIKKDFMLMX-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICCL3fzPXY9
Name 1-Benzylpyrrol-2-yl acetic acid
Alternate Name(s) (1-benzyl-1H-pyrrol-2-yl)acetic acid 2-[1-(phenylmethyl)-2-pyrrolyl]acetic acid 2-[1-(phenylmethyl)pyrrol-2-yl]ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c15-13(16)9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKey FEQCKIKKDFMLMX-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES OC(Cc1[n](ccc1)Cc1ccccc1)=O
SPLASH splash10-0006-9130000000-fb50afab58f7455a4482
Source of Spectrum KC-60-1508-18
Wiley ID 1583392