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Di(tert-butyl) 2-(Cyclohexylamino)-4,9-dihydro-9-oxocyclohepta[b]pyran-3,4-dicarboxylate
SpectraBase Compound ID HR7kLvgRxEN
InChI InChI=1S/C26H35NO6/c1-25(2,3)32-23(29)19-17-14-10-11-15-18(28)21(17)31-22(27-16-12-8-7-9-13-16)20(19)24(30)33-26(4,5)6/h10-11,14-16,19,27H,7-9,12-13H2,1-6H3
InChIKey MFIZXXPMHZAOGO-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C26H35NO6
Exact Mass 457.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GPSZ5NJMjL
Name Di(tert-butyl) 2-(Cyclohexylamino)-4,9-dihydro-9-oxocyclohepta[b]pyran-3,4-dicarboxylate
Alternate Name(s) di-tert-butyl 2-(cyclohexylamino)-9-oxo-4,9-dihydrocyclohepta[b]pyran-3,4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO6
InChI InChI=1S/C26H35NO6/c1-25(2,3)32-23(29)19-17-14-10-11-15-18(28)21(17)31-22(27-16-12-8-7-9-13-16)20(19)24(30)33-26(4,5)6/h10-11,14-16,19,27H,7-9,12-13H2,1-6H3
InChIKey MFIZXXPMHZAOGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201000222
Molecular Weight 457.567 g/mol
SMILES N(C1CCCCC1)C1=C(C(C2=C(O1)C(C=CC=C2)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SPLASH splash10-0udi-1029000000-3c939a034821eb9e7849
Source of Spectrum H-94-374-4g
Wiley ID 1785965