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Ethyl (3aS)-3-oxo-2-[(1S)-1-phenylethyl]-1,2,3,3a-tetrahydrocyclohepta[c]pyrrole-3a-carboxylate
SpectraBase Compound ID Dacv5OzdXIL
InChI InChI=1S/C20H21NO3/c1-3-24-19(23)20-13-9-5-8-12-17(20)14-21(18(20)22)15(2)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3/t15-,20-/m0/s1
InChIKey XMMGILNWKOSDTP-YWZLYKJASA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IAtzG4iMjL
Name Ethyl (3aS)-3-oxo-2-[(1S)-1-phenylethyl]-1,2,3,3a-tetrahydrocyclohepta[c]pyrrole-3a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-3-24-19(23)20-13-9-5-8-12-17(20)14-21(18(20)22)15(2)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3/t15-,20-/m0/s1
InChIKey XMMGILNWKOSDTP-YWZLYKJASA-N
Molecular Weight 323.392 g/mol
SMILES [C@@]12(C(N([C@](c3ccccc3)(C)[H])CC1=CC=CC=C2)=O)C(=O)OCC
SPLASH splash10-0pb9-3940000000-4575efa247c2c17d0323
Source of Spectrum KC-0-4071-9
Synonyms Ethyl (3aS)-3-oxo-2-[(1S)-1-phenylethyl]-2,3-dihydrocyclohepta[c]pyrrole-3a(1H)-carboxylate
Wiley ID 827054