o-Methyl-pisiferic acid - methyl ester - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	B5cvcylmqOz
InChI	InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,5)17(15)13-18(16)25-20(23)24-6/h12-14,19H,7-11H2,1-6H3/t19?,22-/m1/s1
InChIKey	GAEGUFMJTMMMHO-AVKWCDSFSA-N Google Search
Mol Weight	344.5 g/mol
Molecular Formula	C22H32O3
Exact Mass	344.235145 g/mol

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SpectraBase Spectrum ID	DdZYWp78DSc
Name	o-Methyl-pisiferic acid - methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.235144887 u
Formula	C22H32O3
InChI	InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,5)17(15)13-18(16)25-20(23)24-6/h12-14,19H,7-11H2,1-6H3/t19?,22-/m1/s1
InChIKey	GAEGUFMJTMMMHO-AVKWCDSFSA-N
Molecular Weight	344.495 g/mol
SMILES	[C@]12(C=3C=C(OC(=O)OC)C(=CC3CCC1C(C)(C)CCC2)C(C)C)C