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(4aR,8aR)-1-keto-5,8-dimethyl-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O8a-benzyl ester O2-methyl ester
SpectraBase Compound ID FxZVspboHun
InChI InChI=1S/C21H25NO5/c1-14-9-10-15(2)21(19(24)27-13-16-7-5-4-6-8-16)17(14)11-12-22(18(21)23)20(25)26-3/h4-10,14-15,17H,11-13H2,1-3H3/t14?,15?,17-,21-/m1/s1
InChIKey DOJPOFJYQKEWGV-FGLRIPBYSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQuKJdsOlBB
Name (4aR,8aR)-1-keto-5,8-dimethyl-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O8a-benzyl ester O2-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-14-9-10-15(2)21(19(24)27-13-16-7-5-4-6-8-16)17(14)11-12-22(18(21)23)20(25)26-3/h4-10,14-15,17H,11-13H2,1-3H3/t14?,15?,17-,21-/m1/s1
InChIKey DOJPOFJYQKEWGV-FGLRIPBYSA-N
Molecular Weight 371.433 g/mol
SMILES [C@@]12(C(N(C(=O)OC)CC[C@@]2(C(C)C=CC1C)[H])=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9250000000-e63afc099ad40e11e963
Source of Spectrum F-56-4038-29
Synonyms (4aR,8aR)-5,8-dimethyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O2-methyl ester O8a-(phenylmethyl) ester 8a-O-benzyl 2-O-methyl (4aR,8aR)-5,8-dimethyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate O2-methyl O8a-(phenylmethyl) (4aR,8aR)-5,8-dimethyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate O8a-benzyl O2-methyl (4aR,8aR)-5,8-dimethyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate
Wiley ID 857271