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(3RS,5SR)-5-Acetoxy-3-[(2SR)-N-benzylpyrrolidin-2-yl]oxepan-2-one
SpectraBase Compound ID EIHfIXfp7x5
InChI InChI=1S/C19H25NO4/c1-14(21)24-16-9-11-23-19(22)17(12-16)18-8-5-10-20(18)13-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13H2,1H3
InChIKey PAWZYKGFNFUBBN-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVqTlLK4BkU
Name (3RS,5SR)-5-Acetoxy-3-[(2SR)-N-benzylpyrrolidin-2-yl]oxepan-2-one
Alternate Name(s) 6-(1-benzyl-2-pyrrolidinyl)-7-oxo-4-oxepanyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-14(21)24-16-9-11-23-19(22)17(12-16)18-8-5-10-20(18)13-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13H2,1H3
InChIKey PAWZYKGFNFUBBN-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES C1(OCCC(CC1C1N(CCC1)Cc1ccccc1)OC(=O)C)=O
SPLASH splash10-01ox-9400000000-9df7efbde8b2358fc81e
Source of Spectrum K1-2004-4229-48
Wiley ID 1561672