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4-Isopropyl-1-methylcyclohexyl 5,8-dimethyl-4,6-dioxo-1,5-diaza-2-oxatricyclo[6.4.0.0(3,7)]dodecane-12-acetate
SpectraBase Compound ID KYpwWEwcHAV
InChI InChI=1S/C23H36N2O5/c1-13(2)16-9-8-14(3)11-17(16)29-18(26)12-15-7-6-10-23(4)19-20(30-25(15)23)22(28)24(5)21(19)27/h13-17,19-20H,6-12H2,1-5H3/t14-,15+,16+,17-,19+,20-,23+/m1/s1
InChIKey CKKNFNUJBWQKEV-IYXKPZFBSA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H36N2O5
Exact Mass 420.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xFSeHoDsin
Name 4-Isopropyl-1-methylcyclohexyl 5,8-dimethyl-4,6-dioxo-1,5-diaza-2-oxatricyclo[6.4.0.0(3,7)]dodecane-12-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O5
InChI InChI=1S/C23H36N2O5/c1-13(2)16-9-8-14(3)11-17(16)29-18(26)12-15-7-6-10-23(4)19-20(30-25(15)23)22(28)24(5)21(19)27/h13-17,19-20H,6-12H2,1-5H3/t14-,15+,16+,17-,19+,20-,23+/m1/s1
InChIKey CKKNFNUJBWQKEV-IYXKPZFBSA-N
Molecular Weight 420.550 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)(ON2[C@]1(CCC[C@]2(CC(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H])C)[H])[H]
SPLASH splash10-00di-1980000000-19ffb0df3cdc4344e74a
Source of Spectrum F-48-6951-46
Synonyms ((3aS,3bS,7S,8aR)-2,3b-Dimethyl-1,3-dioxo-decahydro-8-oxa-2,7a-diaza-cyclopenta[a]inden-7-yl)-acetic acid (4R,5S)-2-((R)-isopropyl)-5-methyl-cyclohexyl ester 4-Isopropyl-1-methylcyclohexane-3-yl 5,8-dimethyl-4,6-dioxo-1,5-diaza-2-oxatricyclo[6.4.0.0(3,7)]dodecane-12-acetate 4-isopropyl-1-methylcyclohexyl (2,9a-dimethyl-1,3-dioxodecahydropyrrolo[3',4':4,5]isoxazolo[2,3-a]pyridin-6-yl)acetate
Wiley ID 1377978