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Keterolac - derivatized with HFP and PFPA
SpectraBase Compound ID IyIngqKmsj5
InChI InChI=1S/C18H13F6NO3/c19-17(20,21)16(18(22,23)24)28-15(27)11-8-9-25-12(11)6-7-13(25)14(26)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2
InChIKey BHVSFXUHKBMKCT-UHFFFAOYSA-N
Mol Weight 405.3 g/mol
Molecular Formula C18H13F6NO3
Exact Mass 405.079962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fP0SPT73KP
Name Keterolac - derivatized with HFP and PFPA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F6NO3
InChI InChI=1S/C18H13F6NO3/c19-17(20,21)16(18(22,23)24)28-15(27)11-8-9-25-12(11)6-7-13(25)14(26)10-4-2-1-3-5-10/h1-7,11,16H,8-9H2
InChIKey BHVSFXUHKBMKCT-UHFFFAOYSA-N
Molecular Weight 405.296 g/mol
SMILES c12[n](CCC2C(OC(C(F)(F)F)C(F)(F)F)=O)c(cc1)C(=O)c1ccccc1
SPLASH splash10-0bt9-6960200000-f30741c59c693cd29672
Source of Spectrum CJ-0-7-3463
Synonyms 1,2,2,3,3,3-hexafluoropropyl 5-benzoyl-2,3-dihydro-1H-pyrrolo[1,2-a]pyrrole-1-carboxylate 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
Wiley ID 1371671