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4-[4-acetyl-5-(1-methylethyl)-2-phenyl-1-pyrazolidinyl]-2-butanone
SpectraBase Compound ID CTFnPgy4Xuy
InChI InChI=1S/C18H26N2O2/c1-13(2)18-17(15(4)22)12-20(16-8-6-5-7-9-16)19(18)11-10-14(3)21/h5-9,13,17-18H,10-12H2,1-4H3
InChIKey DUZMJYWFSGMRPV-UHFFFAOYSA-N
Mol Weight 302.42 g/mol
Molecular Formula C18H26N2O2
Exact Mass 302.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Gx7kawv2Wn
Name 4-[4-acetyl-5-(1-methylethyl)-2-phenyl-1-pyrazolidinyl]-2-butanone
Alternate Name(s) 4-(4-acetyl-5-isopropyl-2-phenyl-1-pyrazolidinyl)-2-butanone
CAS Registry Number 68184-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O2
InChI InChI=1S/C18H26N2O2/c1-13(2)18-17(15(4)22)12-20(16-8-6-5-7-9-16)19(18)11-10-14(3)21/h5-9,13,17-18H,10-12H2,1-4H3
InChIKey DUZMJYWFSGMRPV-UHFFFAOYSA-N
Molecular Weight 302.418 g/mol
SMILES C1N(N(C(C1C(=O)C)C(C)C)CCC(=O)C)c1ccccc1
SPLASH splash10-0059-8890000000-10fe5310a6692f639ec1
Source of Spectrum J-44-220-0
Wiley ID 1304875