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trans-Iso-cohumulone

View entire compound with spectra: 1 NMR

trans-Iso-cohumulone
SpectraBase Compound ID EWWRcN3ZWSn
InChI InChI=1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3
InChIKey KKXFYHZSOIALRM-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiWCAJDuVlL
Name trans-Iso-cohumulone
CAS Registry Number 58501-77-2
Comments RESONANCES OF C1, C3 AND C15 ADDED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3
InChIKey KKXFYHZSOIALRM-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