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(2S,4R)-Di-tert-butyl-4-(prop-2-yn-1-yl)-5-oxopyrrolidin-1,2-dicarboxylate
SpectraBase Compound ID JQTv2nEP99B
InChI InChI=1S/C17H25NO5/c1-8-9-11-10-12(14(20)22-16(2,3)4)18(13(11)19)15(21)23-17(5,6)7/h1,11-12H,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKey PTZOWDNWPQHIKN-NEPJUHHUSA-N
Mol Weight 323.39 g/mol
Molecular Formula C17H25NO5
Exact Mass 323.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GM3knxqCLII
Name (2S,4R)-Di-tert-butyl-4-(prop-2-yn-1-yl)-5-oxopyrrolidin-1,2-dicarboxylate
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO5
InChI InChI=1S/C17H25NO5/c1-8-9-11-10-12(14(20)22-16(2,3)4)18(13(11)19)15(21)23-17(5,6)7/h1,11-12H,9-10H2,2-7H3/t11-,12+/m1/s1
InChIKey PTZOWDNWPQHIKN-NEPJUHHUSA-N
Instrument Name Agilent HP 6890N-5973N GC
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701584
Molecular Weight 323.389 g/mol
Optical Rotation [a]D20 = -38.9 (589 nm), -39.2 (579 nm), -43.5 (546 nm), -65.3 (436 nm), -84.4 (365 nm) (c = 1.140, CHCl3)
Quality 120
SMILES [C@]1(N(C([C@@](C1)(CC#C)[H])=O)C(=O)OC(C)(C)C)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0a59-1490000000-603f06d3005868250995
Source of Spectrum K1-2018-SM9-trans-6f (DOI: 10.1002/ejoc.201701584)
Thin-Layer Chromatography 0.56 (EtOAc/CyHex, 1:2)
Wiley ID 1891801