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Omphamurin isovalerate

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

Omphamurin isovalerate
SpectraBase Compound ID H3m5V8TFGYe
InChI InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1
InChIKey VKLOXDKDHIKQPG-INIZCTEOSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vcZ80W9bxd
Name Omphamurin isovalerate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.172938551 u
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1
InChIKey VKLOXDKDHIKQPG-INIZCTEOSA-N
Molecular Weight 374.433 g/mol
SMILES C12=C(C[C@](OC(=O)CC(C)C)(C(=C)C)[H])C(OC)=CC(=C2C=CC(O1)=O)OC