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5',6'-[(p-Methoxyphenyl)methylenedioxy]-3-(pyrrolidin-1-ylcarbonyl)spiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]
SpectraBase Compound ID xst5CJI14H
InChI InChI=1S/C21H22N2O6/c1-26-14-6-4-13(5-7-14)20-27-17-16(24)8-9-21(18(17)28-20)12-15(22-29-21)19(25)23-10-2-3-11-23/h4-9,17-18,20H,2-3,10-12H2,1H3/t17-,18-,20?,21+/m0/s1
InChIKey NXXROGGIPCBCGH-MOZGAXJOSA-N
Mol Weight 398.42 g/mol
Molecular Formula C21H22N2O6
Exact Mass 398.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrg1cjDnUao
Name 5',6'-[(p-Methoxyphenyl)methylenedioxy]-3-(pyrrolidin-1-ylcarbonyl)spiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O6
InChI InChI=1S/C21H22N2O6/c1-26-14-6-4-13(5-7-14)20-27-17-16(24)8-9-21(18(17)28-20)12-15(22-29-21)19(25)23-10-2-3-11-23/h4-9,17-18,20H,2-3,10-12H2,1H3/t17-,18-,20?,21+/m0/s1
InChIKey NXXROGGIPCBCGH-MOZGAXJOSA-N
Molecular Weight 398.415 g/mol
SMILES [C@]12([C@@]3([C@@](OC(O3)c3ccc(cc3)OC)(C(C=C2)=O)[H])[H])ON=C(C1)C(N1CCCC1)=O
SPLASH splash10-000j-7900000000-0050be7588cda26e33e8
Source of Spectrum F-56-4179-18
Synonyms (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-[oxo(1-pyrrolidinyl)methyl]-4-spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-isoxazole]one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-(pyrrolidine-1-carbonyl)spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-1,2-oxazole]-4-one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-(pyrrolidine-1-carbonyl)spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-isoxazole]-4-one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-pyrrolidin-1-ylcarbonyl-spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-1,2-oxazole]-4-one
Wiley ID 857382