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1,7-Dimethoxycarbonyl-6-trifluoromethyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-5-carboxylic acid
SpectraBase Compound ID Bz6g5Ej7Urn
InChI InChI=1S/C13H12F3NO6/c1-22-11(20)5-3-4-17-8(5)6(12(21)23-2)7(13(14,15)16)9(17)10(18)19/h5H,3-4H2,1-2H3,(H,18,19)
InChIKey QAYMNERWPOBTPM-UHFFFAOYSA-N
Mol Weight 335.24 g/mol
Molecular Formula C13H12F3NO6
Exact Mass 335.061672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYq5VZpkMHI
Name 1,7-Dimethoxycarbonyl-6-trifluoromethyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO6
InChI InChI=1S/C13H12F3NO6/c1-22-11(20)5-3-4-17-8(5)6(12(21)23-2)7(13(14,15)16)9(17)10(18)19/h5H,3-4H2,1-2H3,(H,18,19)
InChIKey QAYMNERWPOBTPM-UHFFFAOYSA-N
Molecular Weight 335.235 g/mol
SMILES OC(c1[n]2c(C(CC2)C(=O)OC)c(c1C(F)(F)F)C(=O)OC)=O
SPLASH splash10-004i-0093000000-963e6de61bf1ed84dd64
Source of Spectrum O1-63-2075-8
Synonyms 1,7-bis(methoxycarbonyl)-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrole-5-carboxylic acid
Wiley ID 1592796