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(3S,6R,7aR)-3-tert-Butyl-1,6,7,7a-tetrahydro-6-methyl-5-oxopyrrolo[1,2-c]oxazolidine-6,7a-dicarboxylic acid 6-benzyl 7a-methyl ester
SpectraBase Compound ID IxQVUmQTyLB
InChI InChI=1S/C21H27NO6/c1-19(2,3)16-22-15(23)20(4,12-21(22,13-28-16)18(25)26-5)17(24)27-11-14-9-7-6-8-10-14/h6-10,16H,11-13H2,1-5H3/t16-,20+,21+/m0/s1
InChIKey ODJYXDDDONYVRL-ZLGUVYLKSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls11xUM1T84
Name (3S,6R,7aR)-3-tert-Butyl-1,6,7,7a-tetrahydro-6-methyl-5-oxopyrrolo[1,2-c]oxazolidine-6,7a-dicarboxylic acid 6-benzyl 7a-methyl ester
Alternate Name(s) (3S,6R,7aR)-3-tert-butyl-6-methyl-5-oxo-3,7-dihydro-1H-pyrrolo[1,2-c]oxazole-6,7a-dicarboxylic acid O7a-methyl ester O6-(phenylmethyl) ester 6-O-benzyl 7a-O-methyl (3S,6R,7aR)-3-tert-butyl-6-methyl-5-oxo-3,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-6,7a-dicarboxylate O6-benzyl O7a-methyl (3S,6R,7aR)-3-tert-butyl-6-methyl-5-oxo-3,7-dihydro-1H-pyrrolo[1,2-c]oxazole-6,7a-dicarboxylate O7a-methyl O6-(phenylmethyl) (3S,6R,7aR)-3-tert-butyl-6-methyl-5-oxidanylidene-3,7-dihydro-1H-pyrrolo[1,2-c][1,3]oxazole-6,7a-dicarboxylate
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Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-19(2,3)16-22-15(23)20(4,12-21(22,13-28-16)18(25)26-5)17(24)27-11-14-9-7-6-8-10-14/h6-10,16H,11-13H2,1-5H3/t16-,20+,21+/m0/s1
InChIKey ODJYXDDDONYVRL-ZLGUVYLKSA-N
Molecular Weight 389.448 g/mol
SMILES [C@@]12(N(C([C@@](C2)(C(OCc2ccccc2)=O)C)=O)[C@@](OC1)(C(C)(C)C)[H])C(=O)OC
SPLASH splash10-000x-9006000000-5a98ed1b029bf4dbf45c
Source of Spectrum J-66-7557-10
Wiley ID 1568381