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1-(1'-Methylethyl)-2,3,3a,4,5,6,7,8,8a,8b-decahydro-3-oxo-2-benzyl-1H-pyrrolo[3,4-a]pyrrolizin-4-yl]benzonitrile
SpectraBase Compound ID LiW22YnyoOq
InChI InChI=1S/C26H29N3O/c1-16(2)25-22-20-12-13-28-24(20)21(19-10-8-17(14-27)9-11-19)23(22)26(30)29(25)15-18-6-4-3-5-7-18/h3-11,16,20-25,28H,12-13,15H2,1-2H3/t20-,21-,22-,23+,24?,25+/m0/s1
InChIKey QKJJODGZJJYWPI-UTLGOTHNSA-N
Mol Weight 399.54 g/mol
Molecular Formula C26H29N3O
Exact Mass 399.231063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hm3V8VIeyq
Name 1-(1'-Methylethyl)-2,3,3a,4,5,6,7,8,8a,8b-decahydro-3-oxo-2-benzyl-1H-pyrrolo[3,4-a]pyrrolizin-4-yl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29N3O
InChI InChI=1S/C26H29N3O/c1-16(2)25-22-20-12-13-28-24(20)21(19-10-8-17(14-27)9-11-19)23(22)26(30)29(25)15-18-6-4-3-5-7-18/h3-11,16,20-25,28H,12-13,15H2,1-2H3/t20-,21-,22-,23+,24?,25+/m0/s1
InChIKey QKJJODGZJJYWPI-UTLGOTHNSA-N
Molecular Weight 399.538 g/mol
SMILES N1CC[C@@]2(C1[C@]([C@]1(C(N([C@@]([C@@]21[H])(C(C)C)[H])Cc1ccccc1)=O)[H])(c1ccc(C#N)cc1)[H])[H]
SPLASH splash10-0udi-3400900000-a46f0a535ae9f3a07339
Source of Spectrum H-85-1233-12
Wiley ID 1524147