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4-Imidazolidinehexanoic acid, 5-methyl-2-oxo-, ethyl ester, (4R-cis)-
SpectraBase Compound ID Ap17Adou43r
InChI InChI=1S/C12H22N2O3/c1-3-17-11(15)8-6-4-5-7-10-9(2)13-12(16)14-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)/t9-,10+/m0/s1
InChIKey SGLCMQUPOAQBDV-VHSXEESVSA-N
Mol Weight 242.32 g/mol
Molecular Formula C12H22N2O3
Exact Mass 242.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lj26ES64CA6
Name 4-Imidazolidinehexanoic acid, 5-methyl-2-oxo-, ethyl ester, (4R-cis)-
Alternate Name(s) Ethyl 6-[(4R,5S)-5-methyl-2-oxoimidazolidinyl]hexanoate Ethyl ester of dethiobiotin
CAS Registry Number 51745-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22N2O3
InChI InChI=1S/C12H22N2O3/c1-3-17-11(15)8-6-4-5-7-10-9(2)13-12(16)14-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)/t9-,10+/m0/s1
InChIKey SGLCMQUPOAQBDV-VHSXEESVSA-N
Molecular Weight 242.319 g/mol
SMILES N1[C@]([C@](NC1=O)(CCCCCC(=O)OCC)[H])(C)[H]
SPLASH splash10-0002-9000000000-6241ccf82fcae357f19e
Source of Spectrum KO-7-187-1
Wiley ID 1244861