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t-Butyl 1-[(1S,6R)-(1'-cyano-3',4'-dimethyl-6'-phenylcyclohex-3'-enyl)carbonyl]-tetrahydro-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 3b3NQT3PX1T
InChI InChI=1S/C25H32N2O3/c1-17-14-20(19-10-7-6-8-11-19)25(16-26,15-18(17)2)23(29)27-13-9-12-21(27)22(28)30-24(3,4)5/h6-8,10-11,20-21H,9,12-15H2,1-5H3/t20-,21?,25-/m1/s1
InChIKey BXBYDJPYLDIWBH-LDJSFYOUSA-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 4Lpqs0iMO63
Name t-Butyl 1-[(1S,6R)-(1'-cyano-3',4'-dimethyl-6'-phenylcyclohex-3'-enyl)carbonyl]-tetrahydro-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O3
InChI InChI=1S/C25H32N2O3/c1-17-14-20(19-10-7-6-8-11-19)25(16-26,15-18(17)2)23(29)27-13-9-12-21(27)22(28)30-24(3,4)5/h6-8,10-11,20-21H,9,12-15H2,1-5H3/t20-,21?,25-/m1/s1
InChIKey BXBYDJPYLDIWBH-LDJSFYOUSA-N
Molecular Weight 408.542 g/mol
SMILES [C@]1(C(N2C(C(OC(C)(C)C)=O)CCC2)=O)([C@](CC(=C(C1)C)C)(c1ccccc1)[H])C#N
SPLASH splash10-0r03-4039200000-a419c202846a1f1fb4ef
Source of Spectrum H-2005-915-22
Synonyms tert-Butyl 1-{[(1S,6R)-1-cyano-3,4-dimethyl-6-phenyl-3-cyclohexen-1-yl]carbonyl}-2-pyrrolidinecarboxylate
Wiley ID 1562469