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(3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpyrrolidin-2-yl]-4-hydroxyoxepan-2-one
SpectraBase Compound ID IuLvSTxRh84
InChI InChI=1S/C19H25NO5/c1-13(21)25-16-9-11-24-19(23)17(18(16)22)15-8-5-10-20(15)12-14-6-3-2-4-7-14/h2-4,6-7,15-18,22H,5,8-12H2,1H3
InChIKey PWUGBYBJNTYIDB-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C19H25NO5
Exact Mass 347.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NcsoB4Evg
Name (3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpyrrolidin-2-yl]-4-hydroxyoxepan-2-one
Alternate Name(s) 6-(1-benzylpyrrolidin-2-yl)-5-hydroxy-7-oxooxepan-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO5
InChI InChI=1S/C19H25NO5/c1-13(21)25-16-9-11-24-19(23)17(18(16)22)15-8-5-10-20(15)12-14-6-3-2-4-7-14/h2-4,6-7,15-18,22H,5,8-12H2,1H3
InChIKey PWUGBYBJNTYIDB-UHFFFAOYSA-N
Molecular Weight 347.411 g/mol
SMILES OC1C(C(OCCC1OC(=O)C)=O)C1N(CCC1)Cc1ccccc1
SPLASH splash10-03dl-8900000000-f2bb06751a27aa319a20
Source of Spectrum K1-2004-4226-37
Wiley ID 1561683