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(S)-3-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-5-phenyl-pent-4-ynoic acid ethyl ester
SpectraBase Compound ID 3Z4oehIRMcI
InChI InChI=1S/C18H23NO3/c1-2-22-18(21)13-16(19-12-6-9-17(19)14-20)11-10-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,2,6,9,12-14H2,1H3/t16-,17+/m1/s1
InChIKey SLNZSDBLXMRVMD-SJORKVTESA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASb0gkBiXxD
Name (S)-3-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-5-phenyl-pent-4-ynoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-2-22-18(21)13-16(19-12-6-9-17(19)14-20)11-10-15-7-4-3-5-8-15/h3-5,7-8,16-17,20H,2,6,9,12-14H2,1H3/t16-,17+/m1/s1
InChIKey SLNZSDBLXMRVMD-SJORKVTESA-N
Molecular Weight 301.386 g/mol
SMILES OC[C@]1(N([C@](C#Cc2ccccc2)(CC(=O)OCC)[H])CCC1)[H]
SPLASH splash10-000i-0901000000-53fd4a719b767d40ef75
Source of Spectrum QE-15-11673-5k
Synonyms N-[1'-Phenyl-4'-(ethoxycarbonyl)but-1'-yn-3'-yl]-2-(hydroxymethyl)-2,3,4,5-tetrahydropyrrole
Wiley ID 1693045