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(S)-Methyl-1-((3aS,4R,7aS)-2-methyl-6-(4-methylpent-3-enyl)-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,7aS)-2-methyl-6-(4-methylpent-3-enyl)-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
SpectraBase Compound ID HyW7WvfHb4P
InChI InChI=1S/C21H28N2O5/c1-12(2)6-5-7-13-10-14-18(20(26)22(3)19(14)25)16(11-13)23-15(21(27)28-4)8-9-17(23)24/h6,11,14-16,18H,5,7-10H2,1-4H3/t14-,15-,16+,18-/m0/s1
InChIKey GBCIGZWDUPRFEG-CUSZFKRNSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77QBw9zSvWx
Name (S)-Methyl-1-((3aS,4R,7aS)-2-methyl-6-(4-methylpent-3-enyl)-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)-5-oxopyrrolidine-2-carboxylate
Alternate Name(s) (S)-methyl 1-((3aS,4R,7aS)-2-methyl-6-(4-methylpent-3-en-1-yl)-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 C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-12(2)6-5-7-13-10-14-18(20(26)22(3)19(14)25)16(11-13)23-15(21(27)28-4)8-9-17(23)24/h6,11,14-16,18H,5,7-10H2,1-4H3/t14-,15-,16+,18-/m0/s1
InChIKey GBCIGZWDUPRFEG-CUSZFKRNSA-N
Literature Reference DOI 10.1002/asia.200700031
Molecular Weight 388.464 g/mol
SMILES C1=C(C[C@@]2([H])[C@@]([H])([C@@]1(N1C(CC[C@]1(C(OC)=O)[H])=O)[H])C(N(C2=O)C)=O)CCC=C(C)C
SPLASH splash10-014l-9245000000-cbd6e4c34531ca41669e
Source of Spectrum CAJ-2-744-12
Wiley ID 1774966