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XVXYAGCYQBAFHM-UHFFFAOYSA-N

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XVXYAGCYQBAFHM-UHFFFAOYSA-N
SpectraBase Compound ID 1SHUb9t5qYu
InChI InChI=1S/C16H17NO3/c1-3-13-11(2)15(17-14(13)9-18)16(19)20-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3
InChIKey XVXYAGCYQBAFHM-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xf0Oi26FE8
Name 4-ETHYL-5-FORMYL-3-METHYLPYRROLE-2-CARBOXYLIC ACID, BENZYL ESTER
Source of Sample R. J. Abraham, R. D. Lapper J. Chem. Soc. Perkin Trans. Ii, 1974, 1004
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-3-13-11(2)15(17-14(13)9-18)16(19)20-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3
InChIKey XVXYAGCYQBAFHM-UHFFFAOYSA-N
Molecular Weight 271.32
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms PYRROLE-2-CARBOXYLIC ACID, 4-ETHYL- 5-FORMYL-3-METHYL-, BENZYL ESTER