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Colupulone

View entire compound with spectra: 3 NMR, and 1 MS (GC)

Colupulone
SpectraBase Compound ID D3VmXR1U481
InChI InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
InChIKey UNCDMWKTFLUPHZ-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4X51FBTBSj0
Name Colupulone
CAS Registry Number 21621-94-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
InChIKey UNCDMWKTFLUPHZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F. Borremans, M. Depotter, Org. Magn. Resonance 7, 415 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4