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1H-Pyrrole-1-acetic acid, 2-formyl-5-methyl-
SpectraBase Compound ID 3CObdIQ1z3T
InChI InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)9(6)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey FGLUJTGURRJESP-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA5HzSQnhVF
Name 1H-Pyrrole-1-acetic acid, 2-formyl-5-methyl-
CAS Registry Number 67310-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)9(6)4-8(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey FGLUJTGURRJESP-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES OC(C[n]1c(ccc1C)C=O)=O
SPLASH splash10-00r6-6900000000-fb571e10dc04c5dea0cf
Source of Spectrum SB-32-255-0
Synonyms (2-formyl-5-methyl-1H-pyrrol-1-yl)acetic acid 2-Formyl-5-methylpyrrole-1-acetic acid 2-(2-formyl-5-methyl-1-pyrrolyl)acetic acid 2-(2-formyl-5-methylpyrrol-1-yl)acetic acid 2-(2-Methanoyl-5-methyl-pyrrol-1-yl)ethanoic acid
Wiley ID 1163489