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1-((3R,5R)-5-tert-Butyl-3-methyl-1-oxy-4,5-dihydro-3H-pyrazol-3-yl)-3,3-dimethyl-butan-2-one
SpectraBase Compound ID EIDNkvGliaI
InChI InChI=1S/C14H26N2O2/c1-12(2,3)10-8-14(7,15-16(10)18)9-11(17)13(4,5)6/h10H,8-9H2,1-7H3/t10-,14-/m1/s1
InChIKey BPBWFZRAWHSDMA-QMTHXVAHSA-N
Mol Weight 254.37 g/mol
Molecular Formula C14H26N2O2
Exact Mass 254.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT9hbm3FpQm
Name 1-((3R,5R)-5-tert-Butyl-3-methyl-1-oxy-4,5-dihydro-3H-pyrazol-3-yl)-3,3-dimethyl-butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26N2O2
InChI InChI=1S/C14H26N2O2/c1-12(2,3)10-8-14(7,15-16(10)18)9-11(17)13(4,5)6/h10H,8-9H2,1-7H3/t10-,14-/m1/s1
InChIKey BPBWFZRAWHSDMA-QMTHXVAHSA-N
Molecular Weight 254.374 g/mol
SMILES [C@@]1(N=[N+]([C@](C1)(C(C)(C)C)[H])[O-])(CC(C(C)(C)C)=O)C
SPLASH splash10-0a4j-9100000000-96b6e415d27f7a1754c3
Source of Spectrum F-54-9760-9
Synonyms 1-[(3R,5R)-5-tert-butyl-3-methyl-1-oxido-4,5-dihydro-3H-pyrazol-3-yl]-3,3-dimethyl-2-butanone trans-4,5-Dihydro-5-(1,1-dimethylethyl)-3-(3,3-dimethyl-2-oxobutyl)-3-methyl-3H-pyrazole-1-oxide
Wiley ID 808416