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5-tert-Butyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HS6cKFY9A0y
InChI InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)
InChIKey VDNOHRWEOSDGQX-UHFFFAOYSA-N
Mol Weight 140.19 g/mol
Molecular Formula C7H12N2O
Exact Mass 140.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XqJyFqN3xh
Name 5-tert-Butyl-2,4-dihydro-3H-pyrazol-3-one
Alternate Name(s) 3-tert-Butyl-2-pyrazolin-5-one 3-tert-Butyl-1,4-dihydropyrazol-5-one
CAS Registry Number 29211-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12N2O
InChI InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)
InChIKey VDNOHRWEOSDGQX-UHFFFAOYSA-N
Molecular Weight 140.186 g/mol
SMILES N1C(CC(=N1)C(C)(C)C)=O
SPLASH splash10-004l-4900000000-43e0f16782718f5d2873
Source of Spectrum NP-1-769-0
Wiley ID 1097843