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1,7-Diazaspiro[4.5]decane-3,4-dicarboxylic acid, 6-oxo-2-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 7NDRZqjod2Z
InChI InChI=1S/C18H22N2O5/c1-24-15(21)12-13(16(22)25-2)18(9-6-10-19-17(18)23)20-14(12)11-7-4-3-5-8-11/h3-5,7-8,12-14,20H,6,9-10H2,1-2H3,(H,19,23)/t12-,13+,14+,18-/m0/s1
InChIKey UVFSDIQSSUCUGQ-LWGWVAHUSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZX7A2MxLzb
Name 1,7-Diazaspiro[4.5]decane-3,4-dicarboxylic acid, 6-oxo-2-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.,5.alpha.)-(.+-.)-
Alternate Name(s) dimethyl (2S,3S,4S,5S)-6-oxo-2-phenyl-1,7-diazaspiro[4.5]decane-3,4-dicarboxylate Dimethyl 2,2-spiro(3,3-piperidin-2-one)-c-5-phenylpyrrolidine-c-3,t-4-dicarboxylate
CAS Registry Number 123539-75-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-24-15(21)12-13(16(22)25-2)18(9-6-10-19-17(18)23)20-14(12)11-7-4-3-5-8-11/h3-5,7-8,12-14,20H,6,9-10H2,1-2H3,(H,19,23)/t12-,13+,14+,18-/m0/s1
InChIKey UVFSDIQSSUCUGQ-LWGWVAHUSA-N
Molecular Weight 346.383 g/mol
SMILES N1[C@@]([C@]([C@@]([C@@]11C(NCCC1)=O)(C(=O)OC)[H])(C(=O)OC)[H])(c1ccccc1)[H]
SPLASH splash10-004i-0900000000-f5f09c9ca9908f6cdaa0
Source of Spectrum F-45-1741-15
Wiley ID 1339177