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1-Isopropoxycarbonyl-5-benzoyl-6-trifluoromethyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-7-carboxylic acid
SpectraBase Compound ID DpYVINB5mWj
InChI InChI=1S/C20H18F3NO5/c1-10(2)29-19(28)12-8-9-24-15(12)13(18(26)27)14(20(21,22)23)16(24)17(25)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,26,27)
InChIKey RHAKRUYGXRVAAE-UHFFFAOYSA-N
Mol Weight 409.36 g/mol
Molecular Formula C20H18F3NO5
Exact Mass 409.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E3cEEmEHNZ
Name 1-Isopropoxycarbonyl-5-benzoyl-6-trifluoromethyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-7-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F3NO5
InChI InChI=1S/C20H18F3NO5/c1-10(2)29-19(28)12-8-9-24-15(12)13(18(26)27)14(20(21,22)23)16(24)17(25)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,26,27)
InChIKey RHAKRUYGXRVAAE-UHFFFAOYSA-N
Molecular Weight 409.361 g/mol
SMILES OC(c1c2[n](CCC2C(=O)OC(C)C)c(c1C(F)(F)F)C(c1ccccc1)=O)=O
SPLASH splash10-05fr-1209400000-c1d3ef7948770635f9ad
Source of Spectrum O1-63-2076-11
Synonyms 5-Benzoyl-1-(isopropoxycarbonyl)-6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrole-7-carboxylic acid
Wiley ID 1592793