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(4S,7R,8S,8aS)-2-Benzyl-7-ethoxycarbonyl-8-(2-hydroxyethyl)-4-phenyloctahydropyrrolo[1,2-a]pyrazin-1-one
SpectraBase Compound ID JxqsOPHEN1Q
InChI InChI=1S/C25H30N2O4/c1-2-31-25(30)21-16-27-22(19-11-7-4-8-12-19)17-26(15-18-9-5-3-6-10-18)24(29)23(27)20(21)13-14-28/h3-12,20-23,28H,2,13-17H2,1H3/t20-,21-,22+,23-/m0/s1
InChIKey VAZPCKGRQBMEQO-GPJHCHHRSA-N
Mol Weight 422.53 g/mol
Molecular Formula C25H30N2O4
Exact Mass 422.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSTtkwZnzKq
Name (4S,7R,8S,8aS)-2-Benzyl-7-ethoxycarbonyl-8-(2-hydroxyethyl)-4-phenyloctahydropyrrolo[1,2-a]pyrazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O4
InChI InChI=1S/C25H30N2O4/c1-2-31-25(30)21-16-27-22(19-11-7-4-8-12-19)17-26(15-18-9-5-3-6-10-18)24(29)23(27)20(21)13-14-28/h3-12,20-23,28H,2,13-17H2,1H3/t20-,21-,22+,23-/m0/s1
InChIKey VAZPCKGRQBMEQO-GPJHCHHRSA-N
Molecular Weight 422.525 g/mol
SMILES OCC[C@@]1([C@@]2(N([C@](CN(Cc3ccccc3)C2=O)(c2ccccc2)[H])C[C@@]1(C(=O)OCC)[H])[H])[H]
SPLASH splash10-007o-9315700000-019bbd398ca8702610b9
Source of Spectrum F-67-8935-21
Wiley ID 1691125