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5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
SpectraBase Compound ID HIczYvO1qeG
InChI InChI=1S/C8H9NO3/c1-4-5(2)7(8(11)12)9-6(4)3-10/h3,9H,1-2H3,(H,11,12)
InChIKey DZFHHZSBAXETIX-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 2JqHm1kGNn1
Name 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
Alternate Name(s) 5-Methanoyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Registry Number 135570-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-4-5(2)7(8(11)12)9-6(4)3-10/h3,9H,1-2H3,(H,11,12)
InChIKey DZFHHZSBAXETIX-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)C)C)C=O
SPLASH splash10-00di-5900000000-1ebef46c236bb73d375f
Source of Spectrum J-56-6033-10
Wiley ID 1163547