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2-[2-Chloro-1-allyl-4-(ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]acetic acid
SpectraBase Compound ID F6cOKinMf4z
InChI InChI=1S/C13H16ClNO4/c1-4-6-15-8(3)11(13(18)19-5-2)9(12(15)14)7-10(16)17/h4H,1,5-7H2,2-3H3,(H,16,17)
InChIKey ZOIHMPKWRYSTLL-UHFFFAOYSA-N
Mol Weight 285.73 g/mol
Molecular Formula C13H16ClNO4
Exact Mass 285.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Fkuh4dADyW
Name 2-[2-Chloro-1-allyl-4-(ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO4
InChI InChI=1S/C13H16ClNO4/c1-4-6-15-8(3)11(13(18)19-5-2)9(12(15)14)7-10(16)17/h4H,1,5-7H2,2-3H3,(H,16,17)
InChIKey ZOIHMPKWRYSTLL-UHFFFAOYSA-N
Molecular Weight 285.727 g/mol
SMILES OC(Cc1c(c([n](CC=C)c1Cl)C)C(=O)OCC)=O
SPLASH splash10-0006-9450000000-de32a7d55cf3116f3344
Source of Spectrum F-65-1706-3f
Wiley ID 1681774