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4H-Cyclopenta-1,3-dioxole, urea deriv.
SpectraBase Compound ID D55HYnsf4eW
InChI InChI=1S/C19H28N2O5/c1-19(2)25-15-13(17(23-3)24-4)10-14(16(15)26-19)21(18(20)22)11-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3,(H2,20,22)/t13-,14+,15+,16-/m1/s1
InChIKey KNSFMLWHQRTXLU-FXUDXRNXSA-N
Mol Weight 364.44 g/mol
Molecular Formula C19H28N2O5
Exact Mass 364.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3OgY23oSNU
Name 4H-Cyclopenta-1,3-dioxole, urea deriv.
CAS Registry Number 104556-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N2O5
InChI InChI=1S/C19H28N2O5/c1-19(2)25-15-13(17(23-3)24-4)10-14(16(15)26-19)21(18(20)22)11-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3,(H2,20,22)/t13-,14+,15+,16-/m1/s1
InChIKey KNSFMLWHQRTXLU-FXUDXRNXSA-N
Molecular Weight 364.442 g/mol
SMILES NC(N([C@@]1([C@@]2([C@]([C@](C(OC)OC)(C1)[H])(OC(O2)(C)C)[H])[H])[H])Cc1ccccc1)=O
SPLASH splash10-004i-9020000000-1acd5797a10cfad72e80
Source of Spectrum KC-1986-401-4
Synonyms Urea, N-[6-(dimethoxymethyl)tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-N'-(phenylmethyl)-, (3a.alpha.,4.alpha.,6.alpha.,6a.alpha.)-(.+-.)- N-Benzyl-N-[4.beta.-dimethoxymethyl-2.alpha.,3.alpha.-(isopropylidenedioxy)cyclopentan-1.beta.-yl]urea N-[(3aR,4S,6R,6aS)-6-(dimethoxymethyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-benzylurea
Wiley ID 1350725