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tert-Butyl (1S,3R,3aS,6aR)-3-(4-chlorophenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

tert-Butyl (1S,3R,3aS,6aR)-3-(4-chlorophenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID JLKzwjzi8f6
InChI InChI=1S/C18H21ClN2O4/c1-18(2,3)25-17(24)14-12-11(15(22)21(4)16(12)23)13(20-14)9-5-7-10(19)8-6-9/h5-8,11-14,20H,1-4H3/t11-,12+,13-,14-/m0/s1
InChIKey WGBMBOMHOGPKRA-CRWXNKLISA-N
Mol Weight 364.83 g/mol
Molecular Formula C18H21ClN2O4
Exact Mass 364.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r0yVTiTsvB
Name tert-Butyl (1S,3R,3aS,6aR)-3-(4-chlorophenyl)-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN2O4
InChI InChI=1S/C18H21ClN2O4/c1-18(2,3)25-17(24)14-12-11(15(22)21(4)16(12)23)13(20-14)9-5-7-10(19)8-6-9/h5-8,11-14,20H,1-4H3/t11-,12+,13-,14-/m0/s1
InChIKey WGBMBOMHOGPKRA-CRWXNKLISA-N
Molecular Weight 364.829 g/mol
SMILES N1[C@]([C@@]2([C@]([C@]1(C(OC(C)(C)C)=O)[H])(C(N(C2=O)C)=O)[H])[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-03di-0290000000-1624f60c9949c170582f
Source of Spectrum QC-19-2921-12gd
Wiley ID 1687910