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(2RS,3aRS,8aSR)-Ethyl 1-benzyl-4-oxodecahydrocyclohepta[b]pyrrole-2-carboxylate
SpectraBase Compound ID 4zvTbMZhIq7
InChI InChI=1S/C19H25NO3/c1-2-23-19(22)17-12-15-16(10-6-7-11-18(15)21)20(17)13-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3/t15-,16+,17-/m1/s1
InChIKey BHSQQNRNUQVUSQ-IXDOHACOSA-N
Mol Weight 315.41 g/mol
Molecular Formula C19H25NO3
Exact Mass 315.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TLGA9kadxq
Name (2RS,3aRS,8aSR)-Ethyl 1-benzyl-4-oxodecahydrocyclohepta[b]pyrrole-2-carboxylate
Appearance Slightly yellow oil
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Formula C19H25NO3
InChI InChI=1S/C19H25NO3/c1-2-23-19(22)17-12-15-16(10-6-7-11-18(15)21)20(17)13-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13H2,1H3/t15-,16+,17-/m1/s1
InChIKey BHSQQNRNUQVUSQ-IXDOHACOSA-N
Instrument Name Finnigan MAT MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405811
Quality 222
SMILES C1CCC[C@]2([C@](C1=O)(C[C@@](N2CC1=CC=CC=C1)(C(=O)OCC)[H])[H])[H]
SPLASH splash10-0006-9020000000-9c5f649fd25dd76ebf13
Source of Spectrum QE-21-SM25-54 (DOI: 10.1002/chem.201405811)
Thin-Layer Chromatography 0.43 (Hexanes/EtOAc, 3:1)
Wiley ID 1906329