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Methyl cantabrenonate

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Methyl cantabrenonate
SpectraBase Compound ID BkeLvmVLMoW
InChI InChI=1S/C16H22O3/c1-9-5-8-16-10(2)12(14(18)19-4)13(17)15(16,3)7-6-11(9)16/h9,11H,5-8H2,1-4H3/t9-,11+,15+,16+/m1/s1
InChIKey QSKQNMIZDKPANG-JUTNTEDWSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7uxlcwIsLu
Name Methyl cantabrenonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-5-8-16-10(2)12(14(18)19-4)13(17)15(16,3)7-6-11(9)16/h9,11H,5-8H2,1-4H3/t9-,11+,15+,16+/m1/s1
InChIKey QSKQNMIZDKPANG-JUTNTEDWSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]123[C@](C(=O)C(=C3C)C(=O)OC)(CC[C@]1([C@](C)(CC2)[H])[H])C
SPLASH splash10-003r-0590000000-0e9a0bcf35f9292721a7
Source of Spectrum X2-49-852-3
Wiley ID 1602048