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2-(cyclohexylamino)-5-keto-4,6,7,8-tetrahydrochromene-3,4-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID JHzWBh2ak1E
InChI InChI=1S/C25H37NO6/c1-24(2,3)31-22(28)19-18-16(27)13-10-14-17(18)30-21(26-15-11-8-7-9-12-15)20(19)23(29)32-25(4,5)6/h15,19,26H,7-14H2,1-6H3
InChIKey ZCKJOYWGPFLKDJ-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C25H37NO6
Exact Mass 447.262088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zbFau25u1a
Name 2-(cyclohexylamino)-5-keto-4,6,7,8-tetrahydrochromene-3,4-dicarboxylic acid ditert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO6
InChI InChI=1S/C25H37NO6/c1-24(2,3)31-22(28)19-18-16(27)13-10-14-17(18)30-21(26-15-11-8-7-9-12-15)20(19)23(29)32-25(4,5)6/h15,19,26H,7-14H2,1-6H3
InChIKey ZCKJOYWGPFLKDJ-UHFFFAOYSA-N
Molecular Weight 447.572 g/mol
SMILES N(C1=C(C(C2=C(CCCC2=O)O1)C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C1CCCCC1
SPLASH splash10-000b-0079100000-239ff2f6ed9d0c234340
Source of Spectrum AH-134-1589-4
Synonyms 2-(cyclohexylamino)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3,4-dicarboxylic acid ditert-butyl ester ditert-butyl 2-(cyclohexylamino)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3,4-dicarboxylate ditert-butyl 2-(cyclohexylamino)-5-oxo-4,6,7,8-tetrahydrochromene-3,4-dicarboxylate
Wiley ID 1547032