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3-[3-Acetyl-4(R)-(3,4-methylenedioxyphenyl)-2-pyrazolin-1-yl]-5,5-dimethylcyclohex-2-en-1-one

View entire compound with spectra: 1 MS (GC)

3-[3-Acetyl-4(R)-(3,4-methylenedioxyphenyl)-2-pyrazolin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
SpectraBase Compound ID IqqA1iGlVMZ
InChI InChI=1S/C20H22N2O4/c1-12(23)19-16(13-4-5-17-18(6-13)26-11-25-17)10-22(21-19)14-7-15(24)9-20(2,3)8-14/h4-7,16H,8-11H2,1-3H3/t16-/m0/s1
InChIKey ZCGSTUOLANMRPN-INIZCTEOSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvIjZLOabqB
Name 3-[3-Acetyl-4(R)-(3,4-methylenedioxyphenyl)-2-pyrazolin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-12(23)19-16(13-4-5-17-18(6-13)26-11-25-17)10-22(21-19)14-7-15(24)9-20(2,3)8-14/h4-7,16H,8-11H2,1-3H3/t16-/m0/s1
InChIKey ZCGSTUOLANMRPN-INIZCTEOSA-N
Molecular Weight 354.406 g/mol
SMILES C1(N2N=C([C@@](C2)(c2cc3OCOc3cc2)[H])C(=O)C)=CC(=O)CC(C1)(C)C
SPLASH splash10-0f6x-9038000000-e7e22f5fd795e7d86201
Source of Spectrum Y1-34-144-4
Synonyms 3-[(4R)-3-acetyl-4-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5,5-dimethyl-2-cyclohexen-1-one 3-[3-Acetyl-4(3,4-methylenedioxyphenyl)-2-pyrazolin-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Wiley ID 1526452