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5-(AMINO-2'-HYDROXYETHYL)-2,6-DIMETHYL-6-(2'-METHYL-1-BUTYRYLOXY)-3-METHOXY-2,4-CYCLOHEXADIEN-1-ONE
SpectraBase Compound ID LEbc7pscNqD
InChI InChI=1S/C16H25NO5/c1-6-10(2)15(20)22-16(4)13(17-7-8-18)9-12(21-5)11(3)14(16)19/h9-10,17-18H,6-8H2,1-5H3
InChIKey UTRDVXSMNWAJLY-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQPnZ6pNxvy
Name 5-(2-Hydroxyethylamino)-3-methoxy-2,6-dimethyl-(6r*)-((2r*)-2-methylbutyryloxy)-2,4-cyclohexadien-1-one
Comments MONAID: JP006674
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-6-10(2)15(20)22-16(4)13(17-7-8-18)9-12(21-5)11(3)14(16)19/h9-10,17-18H,6-8H2,1-5H3
InChIKey UTRDVXSMNWAJLY-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 311.378 g/mol
SMILES OCCNC1=CC(=C(C(C1(C)OC(=O)C(C)CC)=O)C)OC
SPLASH splash10-003r-3931000000-223a46673309ad2f8c51
Source of Spectrum SRH-2022-6674-0
Synonyms Wasabidienone-e
Wiley ID 1828500