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(5S)-4-[(3R)-N-Benzylpyrrolidin-3-yl]-5-methoxyfuran-2(5H)-one
SpectraBase Compound ID GhDqdrD8ffm
InChI InChI=1S/C25H35NO3/c1-17(2)21-10-9-18(3)13-23(21)28-25-22(14-24(27)29-25)20-11-12-26(16-20)15-19-7-5-4-6-8-19/h4-8,14,17-18,20-21,23,25H,9-13,15-16H2,1-3H3/t18-,20+,21+,23-,25+/m1/s1
InChIKey YKYQBMXTABOHHD-BMLRXUDRSA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPywEQ35OJl
Name (5S)-4-[(3R)-N-Benzylpyrrolidin-3-yl]-5-methoxyfuran-2(5H)-one
Alternate Name(s) (5S)-4-[(3R)-1-benzylpyrrolidinyl]-5-[(2-isopropyl-5-methylcyclohexyl)oxy]-2(5H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-17(2)21-10-9-18(3)13-23(21)28-25-22(14-24(27)29-25)20-11-12-26(16-20)15-19-7-5-4-6-8-19/h4-8,14,17-18,20-21,23,25H,9-13,15-16H2,1-3H3/t18-,20+,21+,23-,25+/m1/s1
InChIKey YKYQBMXTABOHHD-BMLRXUDRSA-N
Molecular Weight 397.559 g/mol
SMILES [C@@]1(C(=CC(O1)=O)[C@@]1(CN(Cc2ccccc2)CC1)[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])[H]
SPLASH splash10-052f-7290000000-15b298fbf34f04bedce0
Source of Spectrum KC-0-3871-11
Wiley ID 826915