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(S)-Methyl-1-((3aS,4R,7S,7aS)-2,7-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(S)-Methyl-1-((3aS,4R,7S,7aS)-2,7-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
SpectraBase Compound ID BKBnavrhJZd
InChI InChI=1S/C16H20N2O5/c1-8-4-5-9(13-12(8)14(20)17(2)15(13)21)18-10(16(22)23-3)6-7-11(18)19/h4-5,8-10,12-13H,6-7H2,1-3H3/t8-,9+,10-,12-,13+/m0/s1
InChIKey OYDYGTGBXMTPJJ-CWUQZGLOSA-N
Mol Weight 320.35 g/mol
Molecular Formula C16H20N2O5
Exact Mass 320.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Xg5FM2QzY
Name (S)-Methyl-1-((3aS,4R,7S,7aS)-2,7-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O5
InChI InChI=1S/C16H20N2O5/c1-8-4-5-9(13-12(8)14(20)17(2)15(13)21)18-10(16(22)23-3)6-7-11(18)19/h4-5,8-10,12-13H,6-7H2,1-3H3/t8-,9+,10-,12-,13+/m0/s1
InChIKey OYDYGTGBXMTPJJ-CWUQZGLOSA-N
Literature Reference DOI 10.1002/asia.200700031
Molecular Weight 320.345 g/mol
SMILES C=1[C@]([C@@]2([C@]([C@](C1)(C)[H])(C(N(C2=O)C)=O)[H])[H])(N1C(CC[C@]1(C(=O)OC)[H])=O)[H]
SPLASH splash10-0kal-9661000000-4178d0e9d236c2b90f6c
Source of Spectrum CAJ-2-743-5a
Synonyms (S)-methyl 1-((3aS,4R,7S,7aS)-2,7-dimethyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
Wiley ID 1774977