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2-(tert-butylamino)-5-keto-4,6,7,8-tetrahydrochromene-3,4-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID IM3V1RmKQkl
InChI InChI=1S/C23H35NO6/c1-21(2,3)24-18-17(20(27)30-23(7,8)9)16(19(26)29-22(4,5)6)15-13(25)11-10-12-14(15)28-18/h16,24H,10-12H2,1-9H3
InChIKey ADJKELPVCMCZOE-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IBUrR2pXnf
Name 2-(tert-butylamino)-5-keto-4,6,7,8-tetrahydrochromene-3,4-dicarboxylic acid ditert-butyl ester
Alternate Name(s) 2-(tert-butylamino)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3,4-dicarboxylic acid ditert-butyl ester ditert-butyl 2-(tert-butylamino)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3,4-dicarboxylate ditert-butyl 2-(tert-butylamino)-5-oxo-4,6,7,8-tetrahydrochromene-3,4-dicarboxylate
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Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-21(2,3)24-18-17(20(27)30-23(7,8)9)16(19(26)29-22(4,5)6)15-13(25)11-10-12-14(15)28-18/h16,24H,10-12H2,1-9H3
InChIKey ADJKELPVCMCZOE-UHFFFAOYSA-N
Molecular Weight 421.534 g/mol
SMILES N(C1=C(C(C=2C(CCCC2O1)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(C)(C)C
SPLASH splash10-03k9-0195100000-8f7696fdbceb7f6d96f7
Source of Spectrum AH-134-1589-4
Wiley ID 1547033