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Methyl (2'E,6'E,10'E)-3-[1'-13C]Geranylgeranyl-4,5-bis(methoxymethoxy)benzoate
SpectraBase Compound ID C8r6GxYhG1m
InChI InChI=1S/C32H48O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-17-27(5)18-19-28-20-29(32(33)36-8)21-30(37-22-34-6)31(28)38-23-35-7/h12,14,16,18,20-21H,9-11,13,15,17,19,22-23H2,1-8H3/b25-14+,26-16+,27-18+/i19+1
InChIKey JSEJRRXTPRVUKU-BVVWGWQUSA-N
Mol Weight 529.7 g/mol
Molecular Formula C3113CH48O6
Exact Mass 529.348444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dHFNXjZZyB
Name Methyl (2'E,6'E,10'E)-3-[1'-13C]Geranylgeranyl-4,5-bis(methoxymethoxy)benzoate
Comments Original formula: C31[13C]H48O6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H48O6
InChI InChI=1S/C32H48O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-17-27(5)18-19-28-20-29(32(33)36-8)21-30(37-22-34-6)31(28)38-23-35-7/h12,14,16,18,20-21H,9-11,13,15,17,19,22-23H2,1-8H3/b25-14+,26-16+,27-18+/i19+1
InChIKey JSEJRRXTPRVUKU-BVVWGWQUSA-N
Molecular Weight 529.722 g/mol
SMILES [13CH2](c1c(c(OCOC)cc(c1)C(=O)OC)OCOC)\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-00ke-9310000000-ac0fc3056272473efc88
Source of Spectrum C5-2005-1024-18
Wiley ID 1618278