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3-Hydroxy-3-methyl-2-oxobutyl 1H-pyrrole-2-carboxylate
SpectraBase Compound ID GrX3S1TXPO
InChI InChI=1S/C10H13NO4/c1-10(2,14)8(12)6-15-9(13)7-4-3-5-11-7/h3-5,11,14H,6H2,1-2H3
InChIKey FWTDYPGAJNUTBZ-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C10H13NO4
Exact Mass 211.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6JCUurzEzG
Name 3-Hydroxy-3-methyl-2-oxobutyl 1H-pyrrole-2-carboxylate
Appearance White crystals
Carrier Gas helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.084457899 u
Formula C10H13NO4
GC Oven Program Oven temp 250oC
InChI InChI=1S/C10H13NO4/c1-10(2,14)8(12)6-15-9(13)7-4-3-5-11-7/h3-5,11,14H,6H2,1-2H3
InChIKey FWTDYPGAJNUTBZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901226
Molecular Weight 211.217 g/mol
Quality 279
SMILES OC(C(COC(C1=CC=CN1)=O)=O)(C)C
SPLASH splash10-052f-9200000000-f0b590c6992a4e586055
Source of Spectrum K1-2019-SM7-3j (DOI: 10.1002/ejoc.201901226)
Wiley ID 1892277