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(S,S)-2-tert-Butyl 7a-Methyl 6-Oxooctahydro-1H-cyclopenta[c]-pyridine-2,7a-dicarboxylate
SpectraBase Compound ID KeDC8Z96GiC
InChI InChI=1S/C15H23NO5/c1-14(2,3)21-13(19)16-6-5-10-7-11(17)8-15(10,9-16)12(18)20-4/h10H,5-9H2,1-4H3/t10-,15+/m0/s1
InChIKey XXABVHAYGTXZTE-ZUZCIYMTSA-N
Mol Weight 297.35 g/mol
Molecular Formula C15H23NO5
Exact Mass 297.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfNMyZLjONr
Name (S,S)-2-tert-Butyl 7a-Methyl 6-Oxooctahydro-1H-cyclopenta[c]-pyridine-2,7a-dicarboxylate
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.157622840 u
Formula C15H23NO5
InChI InChI=1S/C15H23NO5/c1-14(2,3)21-13(19)16-6-5-10-7-11(17)8-15(10,9-16)12(18)20-4/h10H,5-9H2,1-4H3/t10-,15+/m0/s1
InChIKey XXABVHAYGTXZTE-ZUZCIYMTSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801102
Optical Rotation [a]D20 = -10 (c = 1.0 g/L, CH2Cl2)
Quality 214
Reported Formula C15H23NO5
SMILES C1[C@]2([H])[C@](CC(=O)C2)(C(OC)=O)CN(C(OC(C)(C)C)=O)C1
SPLASH splash10-0a4i-9530000000-6284b0469a8ce3a54989
Source of Spectrum K1-2018-5528-10 (DOI: 10.1002/ejoc.201801102)
Wiley ID 1894360