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(3R)-3-(4-tert-butylphenyl)-5-methoxy-2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3H-isoindol-1-one
SpectraBase Compound ID CReFrbUmOVZ
InChI InChI=1S/C25H32N2O3/c1-25(2,3)18-10-8-17(9-11-18)23-22-15-20(30-5)12-13-21(22)24(28)27(23)26-14-6-7-19(26)16-29-4/h8-13,15,19,23H,6-7,14,16H2,1-5H3/t19-,23-/m1/s1
InChIKey BJYJQSLNOKCTIF-AUSIDOKSSA-N
Mol Weight 408.5 g/mol
Molecular Formula C25H32N2O3
Exact Mass 408.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqVQuhkFoKV
Name (3R)-3-(4-tert-butylphenyl)-5-methoxy-2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-3H-isoindol-1-one
Alternate Name(s) (3R)-3-(4-tert-butylphenyl)-5-methoxy-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-isoindol-1-one (3R)-3-(4-tert-butylphenyl)-5-methoxy-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]isoindolin-1-one (3R)-3-(4-tert-butylphenyl)-5-methoxy-2-[(2R)-2-(methoxymethyl)pyrrolidino]isoindolin-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O3
InChI InChI=1S/C25H32N2O3/c1-25(2,3)18-10-8-17(9-11-18)23-22-15-20(30-5)12-13-21(22)24(28)27(23)26-14-6-7-19(26)16-29-4/h8-13,15,19,23H,6-7,14,16H2,1-5H3/t19-,23-/m1/s1
InChIKey BJYJQSLNOKCTIF-AUSIDOKSSA-N
Molecular Weight 408.542 g/mol
SMILES C1(N([C@@](c2cc(ccc12)OC)(c1ccc(C(C)(C)C)cc1)[H])N1[C@@](COC)(CCC1)[H])=O
SPLASH splash10-03di-0009000000-dbf161000ca8779d1f55
Source of Spectrum I-79-1532-13
Wiley ID 813035