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(5-tert-butyl-5-hydroxy-2-pyrazolin-1-yl)-(3-nitrophenyl)methanone
SpectraBase Compound ID AbK55HRxYsZ
InChI InChI=1S/C14H17N3O4/c1-13(2,3)14(19)7-8-15-16(14)12(18)10-5-4-6-11(9-10)17(20)21/h4-6,8-9,19H,7H2,1-3H3
InChIKey PKKGRSKYCCOMIB-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ40wWtCTlt
Name (5-tert-butyl-5-hydroxy-2-pyrazolin-1-yl)-(3-nitrophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4
InChI InChI=1S/C14H17N3O4/c1-13(2,3)14(19)7-8-15-16(14)12(18)10-5-4-6-11(9-10)17(20)21/h4-6,8-9,19H,7H2,1-3H3
InChIKey PKKGRSKYCCOMIB-UHFFFAOYSA-N
Molecular Weight 291.307 g/mol
SMILES OC1(N(C(c2cc(N(=O)=O)ccc2)=O)N=CC1)C(C)(C)C
SPLASH splash10-0zfr-9420000000-dfe5592d81d8d30aca94
Synonyms (5-tert-butyl-5-hydroxy-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone (5-tert-butyl-5-oxidanyl-4H-pyrazol-1-yl)-(3-nitrophenyl)methanone
Wiley ID 1510740