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(2S,3aR,7aR)-6-keto-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester
SpectraBase Compound ID LY8BnQLZkup
InChI InChI=1S/C18H19NO5/c1-23-17(21)16-9-13-7-8-14(20)10-15(13)19(16)18(22)24-11-12-5-3-2-4-6-12/h2-8,13,15-16H,9-11H2,1H3/t13-,15+,16-/m0/s1
InChIKey SADSVGRBHFPEMM-IMJJTQAJSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtQ0answuJN
Name (2S,3aR,7aR)-6-keto-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester
Alternate Name(s) (2S,3aR,7aR)-6-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester 1-O-benzyl 2-O-methyl (2S,3aR,7aR)-6-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate O1-benzyl O2-methyl (2S,3aR,7aR)-6-oxo-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate O2-methyl O1-(phenylmethyl) (2S,3aR,7aR)-6-oxidanylidene-3,3a,7,7a-tetrahydro-2H-indole-1,2-dicarboxylate
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Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-23-17(21)16-9-13-7-8-14(20)10-15(13)19(16)18(22)24-11-12-5-3-2-4-6-12/h2-8,13,15-16H,9-11H2,1H3/t13-,15+,16-/m0/s1
InChIKey SADSVGRBHFPEMM-IMJJTQAJSA-N
Molecular Weight 329.352 g/mol
SMILES [C@]1(N([C@]2([C@](C1)(C=CC(C2)=O)[H])[H])C(OCc1ccccc1)=O)(C(=O)OC)[H]
SPLASH splash10-0006-9020000000-24b65eaf2cf66f9a7018
Source of Spectrum C-117-11110-28
Wiley ID 759369