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2-[2-Chloro-1-isopropyl-4-(methoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]acetic acid
SpectraBase Compound ID 64WPKhMMqN1
InChI InChI=1S/C12H16ClNO4/c1-6(2)14-7(3)10(12(17)18-4)8(11(14)13)5-9(15)16/h6H,5H2,1-4H3,(H,15,16)
InChIKey SIUORQCOFNYMMS-UHFFFAOYSA-N
Mol Weight 273.72 g/mol
Molecular Formula C12H16ClNO4
Exact Mass 273.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqW3yJoKL9I
Name 2-[2-Chloro-1-isopropyl-4-(methoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16ClNO4
InChI InChI=1S/C12H16ClNO4/c1-6(2)14-7(3)10(12(17)18-4)8(11(14)13)5-9(15)16/h6H,5H2,1-4H3,(H,15,16)
InChIKey SIUORQCOFNYMMS-UHFFFAOYSA-N
Molecular Weight 273.716 g/mol
SMILES OC(Cc1c(Cl)[n](c(c1C(=O)OC)C)C(C)C)=O
SPLASH splash10-05i9-3960000000-753655d69e3495fdb704
Source of Spectrum F-65-1706-3g
Wiley ID 1681773